N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide

C18H27NO2 — CID 86884561

IUPACN-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(CC(=O)NCc2ccc(O)cc2)CC(C)(C)C1
InChIInChI=1S/C18H27NO2/c1-13-8-15(11-18(2,3)10-13)9-17(21)19-12-14-4-6-16(20)7-5-14/h4-7,13,15,20H,8-12H2,1-3H3,(H,19,21)
InChIKeyGOYBAURKXHPZFY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.86
Rot. Bonds4

About N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide

N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide (PubChem CID 86884561) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
PubChem CID86884561
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(CC(=O)NCc2ccc(O)cc2)CC(C)(C)C1
InChIInChI=1S/C18H27NO2/c1-13-8-15(11-18(2,3)10-13)9-17(21)19-12-14-4-6-16(20)7-5-14/h4-7,13,15,20H,8-12H2,1-3H3,(H,19,21)
InChIKeyGOYBAURKXHPZFY-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
CID 119385531
4-[[[2-(3-methylcyclopentyl)acetyl]amino]methyl]benzoic acid
CID 119353320
N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
CID 119408980
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 120947279
N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 95180129
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 46982222
(3S,5S)-N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98237435
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
2-[3-(1-adamantyl)-4-hydroxyphenyl]-N-[(4-hydroxyphenyl)methyl]acetamide
CID 86279636
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 103707492
2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 143041752

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide (CID 86884561) is N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide is CC1CC(CC(=O)NCc2ccc(O)cc2)CC(C)(C)C1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide?
The InChIKey is GOYBAURKXHPZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-8-15(11-18(2,3)10-13)9-17(21)19-12-14-4-6-16(20)7-5-14/h4-7,13,15,20H,8-12H2,1-3H3,(H,19,21).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide?
N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide is sourced from PubChem (CID 86884561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).