N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide

C27H30N4O3 — CID 54838526

IUPACN-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N4O3/c1-3-4-18-28-26(33)20-10-16-23(17-11-20)30-25(32)19-29-22-14-12-21(13-15-22)27(34)31(2)24-8-6-5-7-9-24/h5-17,29H,3-4,18-19H2,1-2H3,(H,28,33)(H,30,32)
InChIKeyUIXOAPBOHJHWPA-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.54
Rot. Bonds10

About N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide

N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide (PubChem CID 54838526) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
PubChem CID54838526
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N4O3/c1-3-4-18-28-26(33)20-10-16-23(17-11-20)30-25(32)19-29-22-14-12-21(13-15-22)27(34)31(2)24-8-6-5-7-9-24/h5-17,29H,3-4,18-19H2,1-2H3,(H,28,33)(H,30,32)
InChIKeyUIXOAPBOHJHWPA-UHFFFAOYSA-N
XLogP4.54
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]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

4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
CID 54811232
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838604
3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837360
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
CID 54833224
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide (CID 54838526) is N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide?
The InChIKey is UIXOAPBOHJHWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-3-4-18-28-26(33)20-10-16-23(17-11-20)30-25(32)19-29-22-14-12-21(13-15-22)27(34)31(2)24-8-6-5-7-9-24/h5-17,29H,3-4,18-19H2,1-2H3,(H,28,33)(H,30,32).
What are the key properties of N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide?
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide has a molecular weight of 458.56 g/mol, XLogP of 4.54, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54838526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).