5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid

C18H19NO3 — CID 19029311

IUPAC5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid
SMILESCN(C(=O)CC(CC(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-19(16-10-6-3-7-11-16)17(20)12-15(13-18(21)22)14-8-4-2-5-9-14/h2-11,15H,12-13H2,1H3,(H,21,22)
InChIKeyJWTAQSVDIYCFID-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.30
Rot. Bonds6

About 5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid

5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid (PubChem CID 19029311) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid
PubChem CID19029311
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid
SMILESCN(C(=O)CC(CC(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-19(16-10-6-3-7-11-16)17(20)12-15(13-18(21)22)14-8-4-2-5-9-14/h2-11,15H,12-13H2,1H3,(H,21,22)
InChIKeyJWTAQSVDIYCFID-UHFFFAOYSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 445650
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5-Oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid
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4-Anilino-2-benzyl-4-oxobutanoic acid
CID 4521468
1-(4-Carboxy-6-phenyl-hexanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13364507
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CID 44265506
(2S,4R)-6-Biphenyl-4-yl-2-methyl-4-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-hexanoic acid
CID 44265581
(2S)-1-[(2R)-4-carboxy-2-methyl-6-phenylhexanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 44317123
1-(4-Carboxy-2-methyl-6-phenyl-hexanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 44459120
1-[(4R)-4-carboxy-6-phenylhexanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 44459145
7-[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]heptanoic acid
CID 11855588
3-{[4-(2-tert-Butylphenyl)piperazin-1-yl]carbonyl}adamantane-1-carboxylic acid
CID 66792713

Frequently Asked Questions

What is the IUPAC name of 5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid (CID 19029311) is 5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid is CN(C(=O)CC(CC(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid?
The InChIKey is JWTAQSVDIYCFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19(16-10-6-3-7-11-16)17(20)12-15(13-18(21)22)14-8-4-2-5-9-14/h2-11,15H,12-13H2,1H3,(H,21,22).
What are the key properties of 5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid?
5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 19029311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).