4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide

C14H16N4O3 — CID 22411234

IUPAC4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide
SMILESNc1ccc(C(=O)NCCCC(=O)c2ncc[nH]2)cc1O
InChIInChI=1S/C14H16N4O3/c15-10-4-3-9(8-12(10)20)14(21)18-5-1-2-11(19)13-16-6-7-17-13/h3-4,6-8,20H,1-2,5,15H2,(H,16,17)(H,18,21)
InChIKeyGKDPPJMPYJUZON-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.09
Rot. Bonds6

About 4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide

4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide (PubChem CID 22411234) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide
PubChem CID22411234
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide
SMILESNc1ccc(C(=O)NCCCC(=O)c2ncc[nH]2)cc1O
InChIInChI=1S/C14H16N4O3/c15-10-4-3-9(8-12(10)20)14(21)18-5-1-2-11(19)13-16-6-7-17-13/h3-4,6-8,20H,1-2,5,15H2,(H,16,17)(H,18,21)
InChIKeyGKDPPJMPYJUZON-UHFFFAOYSA-N
XLogP1.09
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]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

4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide
CID 107074095
4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
CID 107075159
tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
CID 102739374
4-[(3-amino-4-methylbenzoyl)amino]butanoic acid
CID 61158961
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64519520
5-[(3,4-dihydroxybenzoyl)amino]pentanoic acid
CID 107728107
6-(1H-imidazol-2-yl)-2-methylidene-6-oxohexanoic acid
CID 70351250
3,4-diamino-N-dodecylbenzamide
CID 22411166
N-(5-amino-5-sulfanylidenepentyl)-3,4-dihydroxybenzamide
CID 107728397

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide (CID 22411234) is 4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide is Nc1ccc(C(=O)NCCCC(=O)c2ncc[nH]2)cc1O.
What is the InChIKey of 4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide?
The InChIKey is GKDPPJMPYJUZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-10-4-3-9(8-12(10)20)14(21)18-5-1-2-11(19)13-16-6-7-17-13/h3-4,6-8,20H,1-2,5,15H2,(H,16,17)(H,18,21).
What are the key properties of 4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide?
4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide has a molecular weight of 288.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide is sourced from PubChem (CID 22411234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).