benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate

C31H29NO3 — CID 126183902

IUPACbenzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OC(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C31H29NO3/c1-31(2,3)26-19-17-24(18-20-26)29(33)32-27-16-10-15-25(21-27)30(34)35-28(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-21,28H,1-3H3,(H,32,33)
InChIKeyBEEIMNSMOREYGW-UHFFFAOYSA-N
MW463.58 g/mol
LogP7.18
Rot. Bonds6

About benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate

benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate (PubChem CID 126183902) has the molecular formula C31H29NO3 and a molecular weight of 463.58 g/mol. Its IUPAC name is benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namebenzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate
PubChem CID126183902
Molecular FormulaC31H29NO3
Molecular Weight463.58 g/mol
Exact Mass463.21
IUPAC Namebenzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OC(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C31H29NO3/c1-31(2,3)26-19-17-24(18-20-26)29(33)32-27-16-10-15-25(21-27)30(34)35-28(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-21,28H,1-3H3,(H,32,33)
InChIKeyBEEIMNSMOREYGW-UHFFFAOYSA-N
XLogP7.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-[(3-benzamidophenyl)carbamothioyl]-4-tert-butylbenzamide
CID 1340575
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
2-methylpropyl 3-benzamidobenzoate
CID 691358
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664

Frequently Asked Questions

What is the IUPAC name of benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate?
The IUPAC name of benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate (CID 126183902) is benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate.
What is the SMILES notation for benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate?
The canonical SMILES for benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate is CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OC(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate?
The InChIKey is BEEIMNSMOREYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO3/c1-31(2,3)26-19-17-24(18-20-26)29(33)32-27-16-10-15-25(21-27)30(34)35-28(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-21,28H,1-3H3,(H,32,33).
What are the key properties of benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate?
benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate has a molecular weight of 463.58 g/mol, XLogP of 7.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate is sourced from PubChem (CID 126183902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).