3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride

C11H17ClN4O2 — CID 119702026

IUPAC3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cccc(NC(N)=O)c1.Cl
InChIInChI=1S/C11H16N4O2.ClH/c1-7(12)5-10(16)14-8-3-2-4-9(6-8)15-11(13)17;/h2-4,6-7H,5,12H2,1H3,(H,14,16)(H3,13,15,17);1H
InChIKeyWLKYYQAGVFEVLF-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.27
Rot. Bonds4

About 3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride

3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride (PubChem CID 119702026) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
PubChem CID119702026
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cccc(NC(N)=O)c1.Cl
InChIInChI=1S/C11H16N4O2.ClH/c1-7(12)5-10(16)14-8-3-2-4-9(6-8)15-11(13)17;/h2-4,6-7H,5,12H2,1H3,(H,14,16)(H3,13,15,17);1H
InChIKeyWLKYYQAGVFEVLF-UHFFFAOYSA-N
XLogP1.27
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride 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-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
3-amino-N-[3-[(dimethylamino)methyl]phenyl]butanamide;dihydrochloride
CID 119853186
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572
3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670764
2-[3-(3-aminobutanoylamino)phenyl]acetic acid
CID 65349953
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
3-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]butanamide
CID 119870425
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
3-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]butanamide;hydrochloride
CID 119692147
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride (CID 119702026) is 3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride is CC(N)CC(=O)Nc1cccc(NC(N)=O)c1.Cl.
What is the InChIKey of 3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride?
The InChIKey is WLKYYQAGVFEVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.ClH/c1-7(12)5-10(16)14-8-3-2-4-9(6-8)15-11(13)17;/h2-4,6-7H,5,12H2,1H3,(H,14,16)(H3,13,15,17);1H.
What are the key properties of 3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride?
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of 1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119702026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).