[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate

C20H21NO5 — CID 7371261

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate
SMILESCOc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C20H21NO5/c1-14(22)21-18(12-15-6-4-3-5-7-15)20(24)26-13-19(23)16-8-10-17(25-2)11-9-16/h3-11,18H,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyNZMXREUTENVRBN-SFHVURJKSA-N
MW355.39 g/mol
LogP2.17
Rot. Bonds8

About [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate

[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate (PubChem CID 7371261) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate
PubChem CID7371261
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate
SMILESCOc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C20H21NO5/c1-14(22)21-18(12-15-6-4-3-5-7-15)20(24)26-13-19(23)16-8-10-17(25-2)11-9-16/h3-11,18H,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyNZMXREUTENVRBN-SFHVURJKSA-N
XLogP2.17
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate
CID 2913195
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
(2-amino-2-sulfanylideneethyl) (2S)-2-acetamido-3-phenylpropanoate
CID 25192392
(2-amino-2-sulfanylideneethyl) (2R)-2-acetamido-3-phenylpropanoate
CID 102030710
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-methoxybenzoate
CID 7862103
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 42970439
[2-(4-methylphenyl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 3513552
phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40796590
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 43030429

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate (CID 7371261) is [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate is COc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(C)=O)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate?
The InChIKey is NZMXREUTENVRBN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21NO5/c1-14(22)21-18(12-15-6-4-3-5-7-15)20(24)26-13-19(23)16-8-10-17(25-2)11-9-16/h3-11,18H,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate?
[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate has a molecular weight of 355.39 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 7371261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).