[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate

C19H21NO4 — CID 7227947

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
SMILESCOc1cccc(NC(=O)COC(=O)C[C@H](C)c2ccccc2)c1
InChIInChI=1S/C19H21NO4/c1-14(15-7-4-3-5-8-15)11-19(22)24-13-18(21)20-16-9-6-10-17(12-16)23-2/h3-10,12,14H,11,13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyHVADYYYYMKGTQK-AWEZNQCLSA-N
MW327.38 g/mol
LogP3.37
Rot. Bonds7

About [2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate

[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate (PubChem CID 7227947) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
PubChem CID7227947
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
SMILESCOc1cccc(NC(=O)COC(=O)C[C@H](C)c2ccccc2)c1
InChIInChI=1S/C19H21NO4/c1-14(15-7-4-3-5-8-15)11-19(22)24-13-18(21)20-16-9-6-10-17(12-16)23-2/h3-10,12,14H,11,13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyHVADYYYYMKGTQK-AWEZNQCLSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227987
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833680
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8547908
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523970
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
CID 35778947
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate (CID 7227947) is [2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate is COc1cccc(NC(=O)COC(=O)C[C@H](C)c2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate?
The InChIKey is HVADYYYYMKGTQK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(15-7-4-3-5-8-15)11-19(22)24-13-18(21)20-16-9-6-10-17(12-16)23-2/h3-10,12,14H,11,13H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate?
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate has a molecular weight of 327.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate is sourced from PubChem (CID 7227947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).