3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide

C14H22N2O2 — CID 113496986

IUPAC3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)9-10(15)8-13(18)16-11-4-6-12(17)7-5-11/h4-7,10,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyRPLIEBOJZFNWJT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.48
Rot. Bonds4

About 3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide

3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide (PubChem CID 113496986) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide
PubChem CID113496986
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)9-10(15)8-13(18)16-11-4-6-12(17)7-5-11/h4-7,10,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyRPLIEBOJZFNWJT-UHFFFAOYSA-N
XLogP2.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.48
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

N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide
CID 107625116
3-[(3-amino-5,5-dimethylhexanoyl)amino]-4-bromobenzoic acid
CID 107813538
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
3-amino-N-phenylpentanamide
CID 79006475
(2R)-2-(dimethylazaniumyl)-4-(4-hydroxyanilino)-4-oxobutanoate
CID 7166155
1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 107158914
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 119703637

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide (CID 113496986) is 3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide is CC(C)(C)CC(N)CC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide?
The InChIKey is RPLIEBOJZFNWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)9-10(15)8-13(18)16-11-4-6-12(17)7-5-11/h4-7,10,17H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide?
3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide has a molecular weight of 250.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide is sourced from PubChem (CID 113496986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).