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

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

	Common Name	ethyl (1R,2R)-2-[[butyl(2,3-dihydro-1-benzofuran-5-carbonyl)amino]methyl]cyclopropane-1-carboxylate	English Name	ethyl (1R,2R)-2-[[butyl(2,3-dihydro-1-benzofuran-5-carbonyl)amino]methyl]cyclopropane-1-carboxylate
	CAS NO.	N/A	Molecular Weight	345.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₀H₂₇NO₄	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-[[butyl(2,3-dihydro-1-benzofuran-5-carbonyl)amino]methyl]cyclopropane-1-carboxylate

Molecular Formula	C20H27NO4
Molecular Weight	345.4
Exact Mass	345.19400834
LogP	3.30
Standard SMILES	CCCCN(CC1CC1C(=O)OCC)C(=O)c1ccc2c(c1)CCO2
Canonical SMILES	CCCCN(CC1CC1C(=O)OCC)C(=O)C2=CC3=C(C=C2)OCC3
Isomeric SMILES	CCCCN(C[C@@H]1C[C@H]1C(=O)OCC)C(=O)C2=CC3=C(C=C2)OCC3
Standard InChI Identifier	InChI=1S/C20H27NO4/c1-3-5-9-21(13-16-12-17(16)20(23)24-4-2)19(22)15-6-7-18-14(11-15)8-10-25-18/h6-7,11,16-17H,3-5,8-10,12-13H2,1-2H3/t16-,17+/m0/s1
Standard InChI Key	MCNWTIHCDILKOK-DLBZAZTESA-N
Compound Complexity	480.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：0 Rotatable Bond Count：9 Heavy Atom Count：25 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：345.19400834