4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide

C12H18N2O2 — CID 106954356

IUPAC4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide
SMILESCc1cc(NC(=O)CCCN)c(C)cc1O
InChIInChI=1S/C12H18N2O2/c1-8-7-11(15)9(2)6-10(8)14-12(16)4-3-5-13/h6-7,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyBFAACOHYJTZIGC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.69
Rot. Bonds4

About 4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide

4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide (PubChem CID 106954356) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide
PubChem CID106954356
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide
SMILESCc1cc(NC(=O)CCCN)c(C)cc1O
InChIInChI=1S/C12H18N2O2/c1-8-7-11(15)9(2)6-10(8)14-12(16)4-3-5-13/h6-7,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyBFAACOHYJTZIGC-UHFFFAOYSA-N
XLogP1.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.69
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

4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide
CID 106954386
4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide
CID 98784399
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
1-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 106954286
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide
CID 20778606
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
2-(2,6-difluorophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106834565

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide?
The IUPAC name of 4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide (CID 106954356) is 4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide is Cc1cc(NC(=O)CCCN)c(C)cc1O.
What is the InChIKey of 4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide?
The InChIKey is BFAACOHYJTZIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-7-11(15)9(2)6-10(8)14-12(16)4-3-5-13/h6-7,15H,3-5,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide?
4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide is sourced from PubChem (CID 106954356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).