N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide

C12H18N2O3 — CID 114345388

IUPACN-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide
SMILESCCC(C)(CN)NC(=O)c1cccc(O)c1O
InChIInChI=1S/C12H18N2O3/c1-3-12(2,7-13)14-11(17)8-5-4-6-9(15)10(8)16/h4-6,15-16H,3,7,13H2,1-2H3,(H,14,17)
InChIKeyKDNDZSCFVQOLGH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.95
Rot. Bonds4

About N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide

N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide (PubChem CID 114345388) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide
PubChem CID114345388
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide
SMILESCCC(C)(CN)NC(=O)c1cccc(O)c1O
InChIInChI=1S/C12H18N2O3/c1-3-12(2,7-13)14-11(17)8-5-4-6-9(15)10(8)16/h4-6,15-16H,3,7,13H2,1-2H3,(H,14,17)
InChIKeyKDNDZSCFVQOLGH-UHFFFAOYSA-N
XLogP0.95
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide 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-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 64549061
3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 114174076
N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 64550717
N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide
CID 114026640
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
CID 64551129
N-(1-amino-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64549265
4-[(2,3-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114343317
N-(1-amino-2-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 64548850
2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 114174079
N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
CID 114153212
2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199869

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide (CID 114345388) is N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide is CCC(C)(CN)NC(=O)c1cccc(O)c1O.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide?
The InChIKey is KDNDZSCFVQOLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-12(2,7-13)14-11(17)8-5-4-6-9(15)10(8)16/h4-6,15-16H,3,7,13H2,1-2H3,(H,14,17).
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide?
N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114345388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).