5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide

C13H20N2O2 — CID 82689437

IUPAC5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
SMILESCc1cc(O)ccc1NC(=O)CCC(C)CN
InChIInChI=1S/C13H20N2O2/c1-9(8-14)3-6-13(17)15-12-5-4-11(16)7-10(12)2/h4-5,7,9,16H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyGYXFRRUPNYPKMU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds5

About 5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide

5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide (PubChem CID 82689437) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
PubChem CID82689437
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
SMILESCc1cc(O)ccc1NC(=O)CCC(C)CN
InChIInChI=1S/C13H20N2O2/c1-9(8-14)3-6-13(17)15-12-5-4-11(16)7-10(12)2/h4-5,7,9,16H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyGYXFRRUPNYPKMU-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 82011572
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 102695232
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453
5-(4-hydroxy-2-methylanilino)-5-oxopentanoic acid
CID 27407074
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide
CID 82688311
5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 104685172
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide
CID 82687831

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide (CID 82689437) is 5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide is Cc1cc(O)ccc1NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide?
The InChIKey is GYXFRRUPNYPKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(8-14)3-6-13(17)15-12-5-4-11(16)7-10(12)2/h4-5,7,9,16H,3,6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide?
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide has a molecular weight of 236.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 82689437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).