(3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate

C19H20NO4- — CID 6925782

IUPAC(3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
SMILESCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H21NO4/c1-3-24-16-9-7-14(8-10-16)17(12-18(21)22)20-19(23)15-6-4-5-13(2)11-15/h4-11,17H,3,12H2,1-2H3,(H,20,23)(H,21,22)/p-1/t17-/m0/s1
InChIKeyXFKCFHFRGANTPL-KRWDZBQOSA-M
MW326.37 g/mol
LogP2.00
Rot. Bonds7

About (3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate

(3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate (PubChem CID 6925782) has the molecular formula C19H20NO4- and a molecular weight of 326.37 g/mol. Its IUPAC name is (3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name(3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
PubChem CID6925782
Molecular FormulaC19H20NO4-
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
SMILESCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H21NO4/c1-3-24-16-9-7-14(8-10-16)17(12-18(21)22)20-19(23)15-6-4-5-13(2)11-15/h4-11,17H,3,12H2,1-2H3,(H,20,23)(H,21,22)/p-1/t17-/m0/s1
InChIKeyXFKCFHFRGANTPL-KRWDZBQOSA-M
XLogP2.00
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310480
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
CID 3369154
(3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate
CID 6921315
(3S)-3-[(3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044662
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
(3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044672
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
3-(4-chlorophenyl)-3-[(3,4-diethoxybenzoyl)amino]propanoate
CID 3434249
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 6988874

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of (3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate (CID 6925782) is (3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for (3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for (3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate is CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of (3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is XFKCFHFRGANTPL-KRWDZBQOSA-M. The full InChI is InChI=1S/C19H21NO4/c1-3-24-16-9-7-14(8-10-16)17(12-18(21)22)20-19(23)15-6-4-5-13(2)11-15/h4-11,17H,3,12H2,1-2H3,(H,20,23)(H,21,22)/p-1/t17-/m0/s1.
What are the key properties of (3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
(3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 326.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 6925782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).