3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide

C11H16N2O2 — CID 79602866

IUPAC3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
SMILESCc1cccc(NC(=O)C(C)CN)c1O
InChIInChI=1S/C11H16N2O2/c1-7-4-3-5-9(10(7)14)13-11(15)8(2)6-12/h3-5,8,14H,6,12H2,1-2H3,(H,13,15)
InChIKeyGQPILALXNPIUCE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.23
Rot. Bonds3

About 3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide

3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide (PubChem CID 79602866) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
PubChem CID79602866
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
SMILESCc1cccc(NC(=O)C(C)CN)c1O
InChIInChI=1S/C11H16N2O2/c1-7-4-3-5-9(10(7)14)13-11(15)8(2)6-12/h3-5,8,14H,6,12H2,1-2H3,(H,13,15)
InChIKeyGQPILALXNPIUCE-UHFFFAOYSA-N
XLogP1.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
CID 80545256
(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-bromo-N-(2-hydroxy-3-methylphenyl)-3-methylbutanamide
CID 14234670
(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
CID 103930188
3-amino-N-(2,3-dichlorophenyl)-2-methylpropanamide
CID 62669970
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55105612
5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 82851221
5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
CID 114254673

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide (CID 79602866) is 3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide is Cc1cccc(NC(=O)C(C)CN)c1O.
What is the InChIKey of 3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide?
The InChIKey is GQPILALXNPIUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-4-3-5-9(10(7)14)13-11(15)8(2)6-12/h3-5,8,14H,6,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide?
3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 79602866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).