(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate

C22H19NO3 — CID 71408981

IUPAC(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
SMILESCc1ccc(OC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H19NO3/c1-15-3-7-17(8-4-15)21(24)23-19-11-9-18(10-12-19)22(25)26-20-13-5-16(2)6-14-20/h3-14H,1-2H3,(H,23,24)
InChIKeyBKNOPVTYEMKCHA-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.77
Rot. Bonds4

About (4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate

(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate (PubChem CID 71408981) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
PubChem CID71408981
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
SMILESCc1ccc(OC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H19NO3/c1-15-3-7-17(8-4-15)21(24)23-19-11-9-18(10-12-19)22(25)26-20-13-5-16(2)6-14-20/h3-14H,1-2H3,(H,23,24)
InChIKeyBKNOPVTYEMKCHA-UHFFFAOYSA-N
XLogP4.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-methylphenyl) 4-[(4-methylbenzoyl)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

[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
[4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate
CID 1193343
[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
CID 8917316
(4-benzamidophenyl) benzoate
CID 569583
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930551
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-tert-butylbenzoate
CID 19181144
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate?
The IUPAC name of (4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate (CID 71408981) is (4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate.
What is the SMILES notation for (4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate?
The canonical SMILES for (4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate is Cc1ccc(OC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of (4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate?
The InChIKey is BKNOPVTYEMKCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-15-3-7-17(8-4-15)21(24)23-19-11-9-18(10-12-19)22(25)26-20-13-5-16(2)6-14-20/h3-14H,1-2H3,(H,23,24).
What are the key properties of (4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate?
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate has a molecular weight of 345.40 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 71408981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).