6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide

C17H28N2O2 — CID 65292237

IUPAC6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide
SMILESCC(c1ccccc1O)N(C)C(=O)CCC(C)(C)CCN
InChIInChI=1S/C17H28N2O2/c1-13(14-7-5-6-8-15(14)20)19(4)16(21)9-10-17(2,3)11-12-18/h5-8,13,20H,9-12,18H2,1-4H3
InChIKeyWLWOYKNKEFKWKB-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.07
Rot. Bonds7

About 6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide

6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide (PubChem CID 65292237) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide
PubChem CID65292237
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide
SMILESCC(c1ccccc1O)N(C)C(=O)CCC(C)(C)CCN
InChIInChI=1S/C17H28N2O2/c1-13(14-7-5-6-8-15(14)20)19(4)16(21)9-10-17(2,3)11-12-18/h5-8,13,20H,9-12,18H2,1-4H3
InChIKeyWLWOYKNKEFKWKB-UHFFFAOYSA-N
XLogP3.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide
CID 65290678
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 54916026
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 81087863
3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 62590459
6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide
CID 79494026
(2R)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929396
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 76894927
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpentanamide
CID 104684604
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 81449728
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 61043693
7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
CID 119717437

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide?
The IUPAC name of 6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide (CID 65292237) is 6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide.
What is the SMILES notation for 6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide?
The canonical SMILES for 6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide is CC(c1ccccc1O)N(C)C(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide?
The InChIKey is WLWOYKNKEFKWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(14-7-5-6-8-15(14)20)19(4)16(21)9-10-17(2,3)11-12-18/h5-8,13,20H,9-12,18H2,1-4H3.
What are the key properties of 6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide?
6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide has a molecular weight of 292.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide is sourced from PubChem (CID 65292237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).