ethyl (1R,2R)-2-[[2,3-dihydro-1-benzofuran-5-carbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate

Update Time: 2025-04-25 17:03:18

	Common Name	ethyl (1R,2R)-2-[[2,3-dihydro-1-benzofuran-5-carbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate	English Name	ethyl (1R,2R)-2-[[2,3-dihydro-1-benzofuran-5-carbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate
	CAS NO.	N/A	Molecular Weight	407.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₂₉NO₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	ethyl (1R,2R)-2-[[2,3-dihydro-1-benzofuran-5-carbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate

Molecular Formula	C25H29NO4
Molecular Weight	407.5
Exact Mass	407.20965841
LogP	4.30
Standard SMILES	CCOC(=O)C1CC1CN(CCCc1ccccc1)C(=O)c1ccc2c(c1)CCO2
Canonical SMILES	CCOC(=O)C1CC1CN(CCCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCC4
Isomeric SMILES	CCOC(=O)[C@@H]1C[C@H]1CN(CCCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCC4
Standard InChI Identifier	InChI=1S/C25H29NO4/c1-2-29-25(28)22-16-21(22)17-26(13-6-9-18-7-4-3-5-8-18)24(27)20-10-11-23-19(15-20)12-14-30-23/h3-5,7-8,10-11,15,21-22H,2,6,9,12-14,16-17H2,1H3/t21-,22+/m0/s1
Standard InChI Key	KJBLGGRVXVTFOU-FCHUYYIVSA-N
Compound Complexity	588.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：0 Rotatable Bond Count：10 Heavy Atom Count：30 Total Chiral Atom Count：2 Defined Chiral Atom Count：2 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：407.20965841