5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid

C24H23NO3 — CID 10761890

IUPAC5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid
SMILESCN(CCc1ccccc1)C(=O)Cc1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H23NO3/c1-25(15-14-18-8-4-2-5-9-18)23(26)17-19-12-13-21(22(16-19)24(27)28)20-10-6-3-7-11-20/h2-13,16H,14-15,17H2,1H3,(H,27,28)
InChIKeyWQBQLOFLKMADJW-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.30
Rot. Bonds7

About 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid

5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid (PubChem CID 10761890) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid.

Molecular Properties

Compound Name5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid
PubChem CID10761890
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid
SMILESCN(CCc1ccccc1)C(=O)Cc1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H23NO3/c1-25(15-14-18-8-4-2-5-9-18)23(26)17-19-12-13-21(22(16-19)24(27)28)20-10-6-3-7-11-20/h2-13,16H,14-15,17H2,1H3,(H,27,28)
InChIKeyWQBQLOFLKMADJW-UHFFFAOYSA-N
XLogP4.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cay10583
CID 51529932
(R)-4''-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-isobutylbiphenyl-4-carboxylic acid
CID 10002049
4-(2-((R)-2-oxo-5-(4-phenylpenta-1,3-dienyl)pyrrolidin-1-yl)ethyl)benzoic acid
CID 10452108
4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalene-2-carboxylic acid
CID 10550213
(E)-3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]prop-2-enoic acid
CID 10837218
4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 57391585
5-[4-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]phenyl]-6-[3-fluoro-2-(trifluoromethyl)phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 163262236
5-[4-[[1-(3,3-difluoropropyl)azetidin-3-yl]methyl]phenyl]-6-[3-fluoro-2-(trifluoromethyl)phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 163262243
6-(4-cyclopropyl-2-methylphenyl)-5-[4-[[1-(3-fluoropropyl)azetidin-3-ylidene]methyl]phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 163262915
5-[4-[[1-(3,3-difluoropropyl)azetidin-3-ylidene]methyl]phenyl]-6-(4-fluoro-2-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 163262951
2'-Phenethylcarbamoyl-biphenyl-2-carboxylic acid
CID 823506
4-[2-[(2R)-2-[(1E,3Z)-4-methylocta-1,3-dienyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 44442331

Frequently Asked Questions

What is the IUPAC name of 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid?
The IUPAC name of 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid (CID 10761890) is 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid.
What is the SMILES notation for 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid?
The canonical SMILES for 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid is CN(CCc1ccccc1)C(=O)Cc1ccc(-c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid?
The InChIKey is WQBQLOFLKMADJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-25(15-14-18-8-4-2-5-9-18)23(26)17-19-12-13-21(22(16-19)24(27)28)20-10-6-3-7-11-20/h2-13,16H,14-15,17H2,1H3,(H,27,28).
What are the key properties of 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid?
5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid has a molecular weight of 373.45 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid is sourced from PubChem (CID 10761890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).