(3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolane-3-carboxamide

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

	Common Name	(3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolane-3-carboxamide	English Name	(3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolane-3-carboxamide
	CAS NO.	N/A	Molecular Weight	363.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₉H₂₅NO₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolane-3-carboxamide

Molecular Formula	C19H25NO6
Molecular Weight	363.4
Exact Mass	363.16818752
LogP	1.20
Standard SMILES	CC1(C)OCC(CN(Cc2ccc3c(c2)OCO3)C(=O)C2CCOC2)O1
Canonical SMILES	CC1(OCC(O1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4CCOC4)C
Isomeric SMILES	CC1(OC[C@@H](O1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)[C@H]4CCOC4)C
Standard InChI Identifier	InChI=1S/C19H25NO6/c1-19(2)25-11-15(26-19)9-20(18(21)14-5-6-22-10-14)8-13-3-4-16-17(7-13)24-12-23-16/h3-4,7,14-15H,5-6,8-12H2,1-2H3/t14-,15-/m0/s1
Standard InChI Key	JOYAHOAXSYGROB-GJZGRUSLSA-N
Compound Complexity	512.00
computational chemistry	Hydrogen Bond Acceptor Count：6 Hydrogen Bond Donor Count：0 Rotatable Bond Count：5 Heavy Atom Count：26 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：363.16818752