N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide

C29H26N2O4 — CID 90462611

IUPACN-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide
SMILESCOc1ccc(CC(=O)N(OC)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C29H26N2O4/c1-34-27-18-8-21(9-19-27)20-28(32)31(35-2)26-16-14-25(15-17-26)30-29(33)24-12-10-23(11-13-24)22-6-4-3-5-7-22/h3-19H,20H2,1-2H3,(H,30,33)
InChIKeyHCOQBPMFUSAOCG-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.75
Rot. Bonds8

About N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide

N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide (PubChem CID 90462611) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide
PubChem CID90462611
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC NameN-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide
SMILESCOc1ccc(CC(=O)N(OC)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C29H26N2O4/c1-34-27-18-8-21(9-19-27)20-28(32)31(35-2)26-16-14-25(15-17-26)30-29(33)24-12-10-23(11-13-24)22-6-4-3-5-7-22/h3-19H,20H2,1-2H3,(H,30,33)
InChIKeyHCOQBPMFUSAOCG-UHFFFAOYSA-N
XLogP5.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide 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-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide
CID 90462307
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate
CID 175731652
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478

Frequently Asked Questions

What is the IUPAC name of N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide (CID 90462611) is N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide is COc1ccc(CC(=O)N(OC)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide?
The InChIKey is HCOQBPMFUSAOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-34-27-18-8-21(9-19-27)20-28(32)31(35-2)26-16-14-25(15-17-26)30-29(33)24-12-10-23(11-13-24)22-6-4-3-5-7-22/h3-19H,20H2,1-2H3,(H,30,33).
What are the key properties of N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide?
N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide has a molecular weight of 466.54 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 90462611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).