5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid

C18H19NO4 — CID 2812800

IUPAC5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
SMILESCOc1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-23-16-9-7-15(8-10-16)19-17(20)11-14(12-18(21)22)13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyKZHZIPGFHPRPGL-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.28
Rot. Bonds7

About 5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid

5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid (PubChem CID 2812800) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
PubChem CID2812800
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
SMILESCOc1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-23-16-9-7-15(8-10-16)19-17(20)11-14(12-18(21)22)13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyKZHZIPGFHPRPGL-UHFFFAOYSA-N
XLogP3.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-anilino-5-oxo-3-phenylpentanoic acid
CID 2812279
(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740869
(3R)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740870
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
(2R)-4-(4-methoxyanilino)-4-oxo-2-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 2140619
5-(3-chloro-4-methylanilino)-5-oxo-3-phenylpentanoic acid
CID 2826171
(3S)-5-[3-(methoxymethyl)anilino]-5-oxo-3-phenylpentanoic acid
CID 100816000
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
5-[4-(4-chlorophenoxy)anilino]-3-(4-methylphenyl)-5-oxopentanoic acid
CID 76901440

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid (CID 2812800) is 5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid is COc1ccc(NC(=O)CC(CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid?
The InChIKey is KZHZIPGFHPRPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-23-16-9-7-15(8-10-16)19-17(20)11-14(12-18(21)22)13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid?
5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid has a molecular weight of 313.35 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 2812800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).