(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-(1,3-dioxolan-2-ylmethyl)-2-methoxy-2-phenylacetamide

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

	Common Name	(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-(1,3-dioxolan-2-ylmethyl)-2-methoxy-2-phenylacetamide	English Name	(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-(1,3-dioxolan-2-ylmethyl)-2-methoxy-2-phenylacetamide
	CAS NO.	N/A	Molecular Weight	385.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₂₃NO₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-(1,3-dioxolan-2-ylmethyl)-2-methoxy-2-phenylacetamide

Molecular Formula	C21H23NO6
Molecular Weight	385.4
Exact Mass	385.15253745
LogP	2.30
Standard SMILES	COC(C(=O)N(Cc1ccc2c(c1)OCO2)CC1OCCO1)c1ccccc1
Canonical SMILES	COC(C1=CC=CC=C1)C(=O)N(CC2OCCO2)CC3=CC4=C(C=C3)OCO4
Isomeric SMILES	CO[C@@H](C1=CC=CC=C1)C(=O)N(CC2OCCO2)CC3=CC4=C(C=C3)OCO4
Standard InChI Identifier	InChI=1S/C21H23NO6/c1-24-20(16-5-3-2-4-6-16)21(23)22(13-19-25-9-10-26-19)12-15-7-8-17-18(11-15)28-14-27-17/h2-8,11,19-20H,9-10,12-14H2,1H3/t20-/m0/s1
Standard InChI Key	HODKGGXGUPOWDE-FQEVSTJZSA-N
Compound Complexity	505.00
computational chemistry	Hydrogen Bond Acceptor Count：6 Hydrogen Bond Donor Count：0 Rotatable Bond Count：7 Heavy Atom Count：28 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：385.15253745