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

C13H20N2O2 — CID 82851221

IUPAC5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
SMILESCc1cccc(NC(=O)CCCC(C)N)c1O
InChIInChI=1S/C13H20N2O2/c1-9-5-3-7-11(13(9)17)15-12(16)8-4-6-10(2)14/h3,5,7,10,17H,4,6,8,14H2,1-2H3,(H,15,16)
InChIKeyPRFLDWAHNDLROZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.16
Rot. Bonds5

About 5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide

5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide (PubChem CID 82851221) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
PubChem CID82851221
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
SMILESCc1cccc(NC(=O)CCCC(C)N)c1O
InChIInChI=1S/C13H20N2O2/c1-9-5-3-7-11(13(9)17)15-12(16)8-4-6-10(2)14/h3,5,7,10,17H,4,6,8,14H2,1-2H3,(H,15,16)
InChIKeyPRFLDWAHNDLROZ-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'}

Analyze 5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide 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

4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide
CID 81496462
5-amino-N-(2-bromophenyl)hexanamide
CID 82848124
5-amino-N-(2-iodophenyl)hexanamide
CID 82848467
5-amino-N-[2-(dimethylamino)phenyl]hexanamide
CID 82847991
5-amino-N-(6-methyl-2-pyridinyl)hexanamide
CID 82849039
5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide
CID 82848561
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097
4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
CID 80545256
3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79602866
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide?
The IUPAC name of 5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide (CID 82851221) is 5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide is Cc1cccc(NC(=O)CCCC(C)N)c1O.
What is the InChIKey of 5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide?
The InChIKey is PRFLDWAHNDLROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-3-7-11(13(9)17)15-12(16)8-4-6-10(2)14/h3,5,7,10,17H,4,6,8,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide?
5-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 5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide is sourced from PubChem (CID 82851221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).