N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide

C24H32N4O3 — CID 54831919

IUPACN-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCCCC)c2)cc1
InChIInChI=1S/C24H32N4O3/c1-3-5-14-25-23(30)18-10-12-20(13-11-18)27-17-22(29)28-21-9-7-8-19(16-21)24(31)26-15-6-4-2/h7-13,16,27H,3-6,14-15,17H2,1-2H3,(H,25,30)(H,26,31)(H,28,29)
InChIKeyHCODBJOGPXEWQS-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.80
Rot. Bonds12

About N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide

N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54831919) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54831919
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCCCC)c2)cc1
InChIInChI=1S/C24H32N4O3/c1-3-5-14-25-23(30)18-10-12-20(13-11-18)27-17-22(29)28-21-9-7-8-19(16-21)24(31)26-15-6-4-2/h7-13,16,27H,3-6,14-15,17H2,1-2H3,(H,25,30)(H,26,31)(H,28,29)
InChIKeyHCODBJOGPXEWQS-UHFFFAOYSA-N
XLogP3.80
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-3-[[2-[4-(butylcarbamoyl)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

3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
N-butyl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840640
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54843817
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812285
N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54832046

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54831919) is N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide is CCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NCCCC)c2)cc1.
What is the InChIKey of N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is HCODBJOGPXEWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-3-5-14-25-23(30)18-10-12-20(13-11-18)27-17-22(29)28-21-9-7-8-19(16-21)24(31)26-15-6-4-2/h7-13,16,27H,3-6,14-15,17H2,1-2H3,(H,25,30)(H,26,31)(H,28,29).
What are the key properties of N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide?
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 424.55 g/mol, XLogP of 3.80, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54831919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).