N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide

C30H29N3O3 — CID 17140337

IUPACN-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C30H29N3O3/c1-21(2)20-36-26-12-8-9-22(19-26)29(34)33-28-14-7-6-13-27(28)30(35)32-25-17-15-24(16-18-25)31-23-10-4-3-5-11-23/h3-19,21,31H,20H2,1-2H3,(H,32,35)(H,33,34)
InChIKeyLNAUGYHAMRAJDS-UHFFFAOYSA-N
MW479.58 g/mol
LogP6.97
Rot. Bonds9

About N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide

N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide (PubChem CID 17140337) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
PubChem CID17140337
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC NameN-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C30H29N3O3/c1-21(2)20-36-26-12-8-9-22(19-26)29(34)33-28-14-7-6-13-27(28)30(35)32-25-17-15-24(16-18-25)31-23-10-4-3-5-11-23/h3-19,21,31H,20H2,1-2H3,(H,32,35)(H,33,34)
InChIKeyLNAUGYHAMRAJDS-UHFFFAOYSA-N
XLogP6.97
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide 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-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17142457
2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-phenylbenzamide
CID 17140529
N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140330
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
2-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17139549
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
CID 17149792
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140791
3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231448

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide (CID 17140337) is N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide is CC(C)COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)c1.
What is the InChIKey of N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide?
The InChIKey is LNAUGYHAMRAJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-21(2)20-36-26-12-8-9-22(19-26)29(34)33-28-14-7-6-13-27(28)30(35)32-25-17-15-24(16-18-25)31-23-10-4-3-5-11-23/h3-19,21,31H,20H2,1-2H3,(H,32,35)(H,33,34).
What are the key properties of N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide?
N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide has a molecular weight of 479.58 g/mol, XLogP of 6.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 17140337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).