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

C13H20N2O2 — CID 79602659

IUPAC2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(C)c1O
InChIInChI=1S/C13H20N2O2/c1-4-8(2)11(14)13(17)15-10-7-5-6-9(3)12(10)16/h5-8,11,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyUAKGNWBXRVHEEU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds4

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

2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide (PubChem CID 79602659) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
PubChem CID79602659
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(C)c1O
InChIInChI=1S/C13H20N2O2/c1-4-8(2)11(14)13(17)15-10-7-5-6-9(3)12(10)16/h5-8,11,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyUAKGNWBXRVHEEU-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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

(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylbenzamide
CID 61180394
3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79602866
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide (CID 79602659) is 2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1cccc(C)c1O.
What is the InChIKey of 2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide?
The InChIKey is UAKGNWBXRVHEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-8(2)11(14)13(17)15-10-7-5-6-9(3)12(10)16/h5-8,11,16H,4,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide?
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide has a molecular weight of 236.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide is sourced from PubChem (CID 79602659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).