ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate

C20H23NO4 — CID 7310542

IUPACethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO4/c1-4-25-19(22)13-18(15-8-10-17(24-3)11-9-15)21-20(23)16-7-5-6-14(2)12-16/h5-12,18H,4,13H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeySLBBKNNDQXOUIU-SFHVURJKSA-N
MW341.41 g/mol
LogP3.43
Rot. Bonds7

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

ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate (PubChem CID 7310542) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
PubChem CID7310542
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO4/c1-4-25-19(22)13-18(15-8-10-17(24-3)11-9-15)21-20(23)16-7-5-6-14(2)12-16/h5-12,18H,4,13H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeySLBBKNNDQXOUIU-SFHVURJKSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.43
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
3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
CID 3369154
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
(3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 6925782
ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 3534137
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 5164713
ethyl (3R)-3-(4-methylphenyl)-3-[(3-nitrobenzoyl)amino]propanoate
CID 7310583

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate (CID 7310542) is ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate is CCOC(=O)C[C@H](NC(=O)c1cccc(C)c1)c1ccc(OC)cc1.
What is the InChIKey of ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is SLBBKNNDQXOUIU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-25-19(22)13-18(15-8-10-17(24-3)11-9-15)21-20(23)16-7-5-6-14(2)12-16/h5-12,18H,4,13H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate?
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 341.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 7310542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).