3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide

C12H18N2O2 — CID 107701407

IUPAC3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)CN)cc1O
InChIInChI=1S/C12H18N2O2/c1-8-4-5-9(6-10(8)15)14-11(16)12(2,3)7-13/h4-6,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyOHTGSJXAGVGWNO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.62
Rot. Bonds3

About 3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide

3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide (PubChem CID 107701407) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
PubChem CID107701407
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)CN)cc1O
InChIInChI=1S/C12H18N2O2/c1-8-4-5-9(6-10(8)15)14-11(16)12(2,3)7-13/h4-6,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyOHTGSJXAGVGWNO-UHFFFAOYSA-N
XLogP1.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-amino-2,2-dimethylpropanoyl)amino]-2-methylbenzoic acid
CID 113307660
N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride
CID 119711356
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
CID 119670425
2-amino-2-cyclopropyl-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701447
N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide
CID 114105808
4-(3-hydroxy-4-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 107699577
2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
CID 107701269
5-[(3-amino-2,2-dimethylpropanoyl)amino]benzene-1,3-dicarboxylic acid
CID 115426556
2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 103828117
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701176

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide (CID 107701407) is 3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide is Cc1ccc(NC(=O)C(C)(C)CN)cc1O.
What is the InChIKey of 3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide?
The InChIKey is OHTGSJXAGVGWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-5-9(6-10(8)15)14-11(16)12(2,3)7-13/h4-6,15H,7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide?
3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 107701407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).