2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid

C24H23NO3 — CID 12959116

IUPAC2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid
SMILESCc1cc(C)c(C(=O)NC(C(=O)O)(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C24H23NO3/c1-16-14-17(2)21(18(3)15-16)22(26)25-24(23(27)28,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3,(H,25,26)(H,27,28)
InChIKeyMAXKTXYKFWRSET-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.37
Rot. Bonds5

About 2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid

2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid (PubChem CID 12959116) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid
PubChem CID12959116
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid
SMILESCc1cc(C)c(C(=O)NC(C(=O)O)(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C24H23NO3/c1-16-14-17(2)21(18(3)15-16)22(26)25-24(23(27)28,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3,(H,25,26)(H,27,28)
InChIKeyMAXKTXYKFWRSET-UHFFFAOYSA-N
XLogP4.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide
CID 122228652
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
CID 63764973
N-[3-(bromomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
CID 114315150
2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid
CID 175102525
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 64555976
N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid?
The IUPAC name of 2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid (CID 12959116) is 2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid?
The canonical SMILES for 2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid is Cc1cc(C)c(C(=O)NC(C(=O)O)(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid?
The InChIKey is MAXKTXYKFWRSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-16-14-17(2)21(18(3)15-16)22(26)25-24(23(27)28,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid?
2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid has a molecular weight of 373.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid is sourced from PubChem (CID 12959116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).