4-[(2-anilinoacetyl)amino]-N-butylbenzamide

C19H23N3O2 — CID 54810364

IUPAC4-[(2-anilinoacetyl)amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-3-13-20-19(24)15-9-11-17(12-10-15)22-18(23)14-21-16-7-5-4-6-8-16/h4-12,21H,2-3,13-14H2,1H3,(H,20,24)(H,22,23)
InChIKeyZMAZBHWFROHDDH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.27
Rot. Bonds8

About 4-[(2-anilinoacetyl)amino]-N-butylbenzamide

4-[(2-anilinoacetyl)amino]-N-butylbenzamide (PubChem CID 54810364) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(2-anilinoacetyl)amino]-N-butylbenzamide.

Molecular Properties

Compound Name4-[(2-anilinoacetyl)amino]-N-butylbenzamide
PubChem CID54810364
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[(2-anilinoacetyl)amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-3-13-20-19(24)15-9-11-17(12-10-15)22-18(23)14-21-16-7-5-4-6-8-16/h4-12,21H,2-3,13-14H2,1H3,(H,20,24)(H,22,23)
InChIKeyZMAZBHWFROHDDH-UHFFFAOYSA-N
XLogP3.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
CID 54809138
N-butyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825518
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54816290
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
CID 54811232

Frequently Asked Questions

What is the IUPAC name of 4-[(2-anilinoacetyl)amino]-N-butylbenzamide?
The IUPAC name of 4-[(2-anilinoacetyl)amino]-N-butylbenzamide (CID 54810364) is 4-[(2-anilinoacetyl)amino]-N-butylbenzamide.
What is the SMILES notation for 4-[(2-anilinoacetyl)amino]-N-butylbenzamide?
The canonical SMILES for 4-[(2-anilinoacetyl)amino]-N-butylbenzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2ccccc2)cc1.
What is the InChIKey of 4-[(2-anilinoacetyl)amino]-N-butylbenzamide?
The InChIKey is ZMAZBHWFROHDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-3-13-20-19(24)15-9-11-17(12-10-15)22-18(23)14-21-16-7-5-4-6-8-16/h4-12,21H,2-3,13-14H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 4-[(2-anilinoacetyl)amino]-N-butylbenzamide?
4-[(2-anilinoacetyl)amino]-N-butylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-anilinoacetyl)amino]-N-butylbenzamide is sourced from PubChem (CID 54810364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).