2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide

C18H27NO2 — CID 62538809

IUPAC2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
SMILESCc1ccc(CC(=O)NC2(CO)CCC(C)CC2)cc1C
InChIInChI=1S/C18H27NO2/c1-13-6-8-18(12-20,9-7-13)19-17(21)11-16-5-4-14(2)15(3)10-16/h4-5,10,13,20H,6-9,11-12H2,1-3H3,(H,19,21)
InChIKeyWXCOFIAOWDVJJD-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.90
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide

2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide (PubChem CID 62538809) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
PubChem CID62538809
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
SMILESCc1ccc(CC(=O)NC2(CO)CCC(C)CC2)cc1C
InChIInChI=1S/C18H27NO2/c1-13-6-8-18(12-20,9-7-13)19-17(21)11-16-5-4-14(2)15(3)10-16/h4-5,10,13,20H,6-9,11-12H2,1-3H3,(H,19,21)
InChIKeyWXCOFIAOWDVJJD-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527500
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 63767805
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
CID 114304371
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 62527243
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
2-(3,4-dimethylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114550146
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-(3-bromophenyl)acetamide
CID 114314942

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide (CID 62538809) is 2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide is Cc1ccc(CC(=O)NC2(CO)CCC(C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The InChIKey is WXCOFIAOWDVJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-6-8-18(12-20,9-7-13)19-17(21)11-16-5-4-14(2)15(3)10-16/h4-5,10,13,20H,6-9,11-12H2,1-3H3,(H,19,21).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide is sourced from PubChem (CID 62538809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).