4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide

C13H20N2O2 — CID 80544363

IUPAC4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide
SMILESCc1cc(C)c(O)c(NC(=O)C(C)CCN)c1
InChIInChI=1S/C13H20N2O2/c1-8-6-10(3)12(16)11(7-8)15-13(17)9(2)4-5-14/h6-7,9,16H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyGZEXSRLZNNFYIE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.93
Rot. Bonds4

About 4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide

4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide (PubChem CID 80544363) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide
PubChem CID80544363
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide
SMILESCc1cc(C)c(O)c(NC(=O)C(C)CCN)c1
InChIInChI=1S/C13H20N2O2/c1-8-6-10(3)12(16)11(7-8)15-13(17)9(2)4-5-14/h6-7,9,16H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyGZEXSRLZNNFYIE-UHFFFAOYSA-N
XLogP1.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
CID 80545256
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
2-[(4-amino-2-methylbutanoyl)amino]-5-hydroxybenzoic acid
CID 80543580
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067
3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide
CID 80543366
5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 104685172
5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide
CID 113441079
5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005
3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79602866
(2S)-4-amino-N-(4-chloro-3-methylphenyl)-2-methylbutanamide
CID 170264446
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide (CID 80544363) is 4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide is Cc1cc(C)c(O)c(NC(=O)C(C)CCN)c1.
What is the InChIKey of 4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide?
The InChIKey is GZEXSRLZNNFYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-6-10(3)12(16)11(7-8)15-13(17)9(2)4-5-14/h6-7,9,16H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide?
4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide is sourced from PubChem (CID 80544363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).