N-(furan-3-ylmethyl)-N-[(1S)-1-phenylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

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

	Common Name	N-(furan-3-ylmethyl)-N-[(1S)-1-phenylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide	English Name	N-(furan-3-ylmethyl)-N-[(1S)-1-phenylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
	CAS NO.	N/A	Molecular Weight	347.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₂H₂₁NO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-(furan-3-ylmethyl)-N-[(1S)-1-phenylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

Molecular Formula	C22H21NO3
Molecular Weight	347.4
Exact Mass	347.15214353
LogP	3.80
Standard SMILES	CC(c1ccccc1)N(Cc1ccoc1)C(=O)c1ccc2c(c1)CCO2
Canonical SMILES	CC(C1=CC=CC=C1)N(CC2=COC=C2)C(=O)C3=CC4=C(C=C3)OCC4
Isomeric SMILES	C[C@@H](C1=CC=CC=C1)N(CC2=COC=C2)C(=O)C3=CC4=C(C=C3)OCC4
Standard InChI Identifier	InChI=1S/C22H21NO3/c1-16(18-5-3-2-4-6-18)23(14-17-9-11-25-15-17)22(24)20-7-8-21-19(13-20)10-12-26-21/h2-9,11,13,15-16H,10,12,14H2,1H3/t16-/m0/s1
Standard InChI Key	MIVKNNSHBUXSNX-INIZCTEOSA-N
Compound Complexity	476.00
computational chemistry	Hydrogen Bond Acceptor Count：3 Hydrogen Bond Donor Count：0 Rotatable Bond Count：5 Heavy Atom Count：26 Total Chiral Atom Count：1 Defined Chiral Atom Count：1 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：347.15214353