2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide

C15H23NO2 — CID 143326178

IUPAC2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide
SMILESCCC(CC(C)(C)C)C(=O)Nc1ccccc1O
InChIInChI=1S/C15H23NO2/c1-5-11(10-15(2,3)4)14(18)16-12-8-6-7-9-13(12)17/h6-9,11,17H,5,10H2,1-4H3,(H,16,18)
InChIKeyMRTWMTHQLDSSCQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.79
Rot. Bonds4

About 2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide

2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide (PubChem CID 143326178) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide
PubChem CID143326178
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide
SMILESCCC(CC(C)(C)C)C(=O)Nc1ccccc1O
InChIInChI=1S/C15H23NO2/c1-5-11(10-15(2,3)4)14(18)16-12-8-6-7-9-13(12)17/h6-9,11,17H,5,10H2,1-4H3,(H,16,18)
InChIKeyMRTWMTHQLDSSCQ-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(2-hydroxyphenyl)-4-methylpentanamide
CID 135170128
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide
CID 107471470
2-hydroxy-N-(2-hydroxyphenyl)propanamide
CID 83768320
2-(2-ethylbutanoylamino)benzamide
CID 1214109
2-ethyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 1234613
(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 7321292
2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide
CID 107471273
(3S)-3-amino-4-(2-hydroxyanilino)-4-oxobutanoic acid
CID 70293663
2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
4-amino-2-ethyl-N-(2-ethylphenyl)butanamide
CID 112515504
N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide
CID 135192580
2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide
CID 14234666

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide (CID 143326178) is 2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide is CCC(CC(C)(C)C)C(=O)Nc1ccccc1O.
What is the InChIKey of 2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide?
The InChIKey is MRTWMTHQLDSSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-11(10-15(2,3)4)14(18)16-12-8-6-7-9-13(12)17/h6-9,11,17H,5,10H2,1-4H3,(H,16,18).
What are the key properties of 2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide?
2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide has a molecular weight of 249.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 143326178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).