2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide

C13H20N2O2 — CID 113484642

IUPAC2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NC(C)C(C)CO
InChIInChI=1S/C13H20N2O2/c1-8-5-4-6-11(14)12(8)13(17)15-10(3)9(2)7-16/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyQTZZVMNBFATQGO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds4

About 2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide

2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide (PubChem CID 113484642) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide
PubChem CID113484642
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NC(C)C(C)CO
InChIInChI=1S/C13H20N2O2/c1-8-5-4-6-11(14)12(8)13(17)15-10(3)9(2)7-16/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyQTZZVMNBFATQGO-UHFFFAOYSA-N
XLogP1.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide 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

2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081123
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081124
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 113484652
2-amino-6-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 61118569
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
methyl 2-[(2-amino-6-methylbenzoyl)amino]-3-methylbutanoate
CID 43451998
2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 61112835
N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
CID 103820772
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
2-amino-6-methyl-N-(4-methylpentyl)benzamide
CID 61125190
2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
CID 107150571

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide (CID 113484642) is 2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide is Cc1cccc(N)c1C(=O)NC(C)C(C)CO.
What is the InChIKey of 2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide?
The InChIKey is QTZZVMNBFATQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-5-4-6-11(14)12(8)13(17)15-10(3)9(2)7-16/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide?
2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide is sourced from PubChem (CID 113484642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).