4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide

C14H20N4O3 — CID 24640883

IUPAC4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H20N4O3/c1-3-8(2)11(18-14(16)21)13(20)17-10-6-4-9(5-7-10)12(15)19/h4-8,11H,3H2,1-2H3,(H2,15,19)(H,17,20)(H3,16,18,21)
InChIKeyWUJOPSDTBSGJPN-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.81
Rot. Bonds6

About 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide

4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide (PubChem CID 24640883) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
PubChem CID24640883
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H20N4O3/c1-3-8(2)11(18-14(16)21)13(20)17-10-6-4-9(5-7-10)12(15)19/h4-8,11H,3H2,1-2H3,(H2,15,19)(H,17,20)(H3,16,18,21)
InChIKeyWUJOPSDTBSGJPN-UHFFFAOYSA-N
XLogP0.81
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(carbamoylamino)-3-methylpentanoyl]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

(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 42908939
2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
CID 64792800
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
CID 61221427
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 3924237
(2S)-2-[(4-carbamoylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61185112
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
(2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
CID 2373139

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide?
The IUPAC name of 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide (CID 24640883) is 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide?
The canonical SMILES for 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide is CCC(C)C(NC(N)=O)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide?
The InChIKey is WUJOPSDTBSGJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-8(2)11(18-14(16)21)13(20)17-10-6-4-9(5-7-10)12(15)19/h4-8,11H,3H2,1-2H3,(H2,15,19)(H,17,20)(H3,16,18,21).
What are the key properties of 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide?
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide has a molecular weight of 292.34 g/mol, XLogP of 0.81, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide is sourced from PubChem (CID 24640883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).