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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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).