N-butyl-2-(propan-2-ylcarbamoylamino)benzamide

C15H23N3O2 — CID 46585555

IUPACN-butyl-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)NC(C)C
InChIInChI=1S/C15H23N3O2/c1-4-5-10-16-14(19)12-8-6-7-9-13(12)18-15(20)17-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyWPMAEBQRWKEBHM-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.75
Rot. Bonds6

About N-butyl-2-(propan-2-ylcarbamoylamino)benzamide

N-butyl-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 46585555) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-butyl-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-butyl-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID46585555
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-butyl-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)NC(C)C
InChIInChI=1S/C15H23N3O2/c1-4-5-10-16-14(19)12-8-6-7-9-13(12)18-15(20)17-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyWPMAEBQRWKEBHM-UHFFFAOYSA-N
XLogP2.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-2-(propan-2-ylcarbamoylamino)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-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 60553495
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104
N-[3-(N-methylanilino)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 46551983
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
2-[[(2S)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660375
2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660374
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-butyl-2-(propan-2-ylcarbamoylamino)benzamide (CID 46585555) is N-butyl-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-butyl-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-butyl-2-(propan-2-ylcarbamoylamino)benzamide is CCCCNC(=O)c1ccccc1NC(=O)NC(C)C.
What is the InChIKey of N-butyl-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is WPMAEBQRWKEBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-5-10-16-14(19)12-8-6-7-9-13(12)18-15(20)17-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-butyl-2-(propan-2-ylcarbamoylamino)benzamide?
N-butyl-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 277.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 46585555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).