4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide

C12H18N2O2 — CID 80545256

IUPAC4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
SMILESCc1cccc(NC(=O)C(C)CCN)c1O
InChIInChI=1S/C12H18N2O2/c1-8-4-3-5-10(11(8)15)14-12(16)9(2)6-7-13/h3-5,9,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyUDLABFVDPZZUEG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.62
Rot. Bonds4

About 4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide

4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide (PubChem CID 80545256) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
PubChem CID80545256
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
SMILESCc1cccc(NC(=O)C(C)CCN)c1O
InChIInChI=1S/C12H18N2O2/c1-8-4-3-5-10(11(8)15)14-12(16)9(2)6-7-13/h3-5,9,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyUDLABFVDPZZUEG-UHFFFAOYSA-N
XLogP1.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide 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-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79602866
4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide
CID 80544363
5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
CID 114254673
2-bromo-N-(2-hydroxy-3-methylphenyl)-3-methylbutanamide
CID 14234670
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
CID 103930188
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067
5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 82851221
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide (CID 80545256) is 4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide is Cc1cccc(NC(=O)C(C)CCN)c1O.
What is the InChIKey of 4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide?
The InChIKey is UDLABFVDPZZUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-3-5-10(11(8)15)14-12(16)9(2)6-7-13/h3-5,9,15H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide?
4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide is sourced from PubChem (CID 80545256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).