methyl 3-[benzyl(3-methoxy-3-oxopropyl)amino]propanoate

methyl 3-[benzyl(3-methoxy-3-oxopropyl)amino]propanoate

CAS: 793-19-1

Formula: C15H21NO4

SMILES: COC(=O)CCN(CCC(=O)OC)CC1=CC=CC=C1

IUPAC: methyl 3-[benzyl(3-methoxy-3-oxopropyl)amino]propanoate

InChI: InChI=1S/C15H21NO4/c1-19-14(17)8-10-16(11-9-15(18)20-2)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3

Composition: C (64.50%), H (7.58%), N (5.01%), O (22.91%)

Molar Mass: 279.336

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	279.14705816
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KPRYGTMLHJYBFC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.71
Topological Polar Surface Area	55.84
Polarizability	29.96
Ring Count	1
Rotatable Bond Count	10

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