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

C13H20N2O2 — CID 104685172

IUPAC5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
SMILESCc1cc(O)ccc1NC(=O)C(C)CCCN
InChIInChI=1S/C13H20N2O2/c1-9(4-3-7-14)13(17)15-12-6-5-11(16)8-10(12)2/h5-6,8-9,16H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyJSYMNDUMBZQDSB-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds5

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

5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide (PubChem CID 104685172) 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)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
PubChem CID104685172
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
SMILESCc1cc(O)ccc1NC(=O)C(C)CCCN
InChIInChI=1S/C13H20N2O2/c1-9(4-3-7-14)13(17)15-12-6-5-11(16)8-10(12)2/h5-6,8-9,16H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyJSYMNDUMBZQDSB-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

methyl 4-[(5-amino-2-methylpentanoyl)amino]-3-methylbenzoate
CID 104684128
2-[(4-amino-2-methylbutanoyl)amino]-5-hydroxybenzoic acid
CID 80543580
5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
CID 113440855
5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
CID 114254673
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
2-[(5-amino-2-methylpentanoyl)amino]-5-fluorobenzoic acid
CID 112547816
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
3-(3,4-dihydroxyphenyl)-N-(4-hydroxy-2-methylphenyl)-2-methylpropanamide
CID 84578793
5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide
CID 112517031

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide (CID 104685172) is 5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide is Cc1cc(O)ccc1NC(=O)C(C)CCCN.
What is the InChIKey of 5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide?
The InChIKey is JSYMNDUMBZQDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(4-3-7-14)13(17)15-12-6-5-11(16)8-10(12)2/h5-6,8-9,16H,3-4,7,14H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide?
5-amino-N-(4-hydroxy-2-methylphenyl)-2-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)-2-methylpentanamide is sourced from PubChem (CID 104685172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).