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

C13H20N2O2 — CID 79596538

IUPAC2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cccc(C)c1O
InChIInChI=1S/C13H20N2O2/c1-3-4-7-10(14)13(17)15-11-8-5-6-9(2)12(11)16/h5-6,8,10,16H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyWLYUDFRWYUPCSC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.16
Rot. Bonds5

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

2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide (PubChem CID 79596538) 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)hexanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
PubChem CID79596538
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cccc(C)c1O
InChIInChI=1S/C13H20N2O2/c1-3-4-7-10(14)13(17)15-11-8-5-6-9(2)12(11)16/h5-6,8,10,16H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyWLYUDFRWYUPCSC-UHFFFAOYSA-N
XLogP2.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.16
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)pentanamide
CID 107570097
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
(2S)-2-amino-N-(2-fluoro-6-methylphenyl)hexanamide
CID 107146650
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880
3-(2-aminohexanoylamino)-N,2-dimethylbenzamide
CID 60854743
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
CID 103830899
2-amino-N-quinolin-5-ylhexanamide
CID 54928381
(2S)-2-amino-N-(2-phenylphenyl)hexanamide
CID 103830910

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide (CID 79596538) is 2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide is CCCCC(N)C(=O)Nc1cccc(C)c1O.
What is the InChIKey of 2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide?
The InChIKey is WLYUDFRWYUPCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-7-10(14)13(17)15-11-8-5-6-9(2)12(11)16/h5-6,8,10,16H,3-4,7,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide?
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide has a molecular weight of 236.31 g/mol, XLogP of 2.16, 5 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)hexanamide is sourced from PubChem (CID 79596538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).