4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide

C17H23NO3 — CID 86791516

IUPAC4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NC2(CO)CCC(C)CC2)cc1
InChIInChI=1S/C17H23NO3/c1-12-7-9-17(11-19,10-8-12)18-16(21)15-5-3-14(4-6-15)13(2)20/h3-6,12,19H,7-11H2,1-2H3,(H,18,21)
InChIKeyGUTDBWRCYMUMLJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.56
Rot. Bonds4

About 4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide

4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (PubChem CID 86791516) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
PubChem CID86791516
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NC2(CO)CCC(C)CC2)cc1
InChIInChI=1S/C17H23NO3/c1-12-7-9-17(11-19,10-8-12)18-16(21)15-5-3-14(4-6-15)13(2)20/h3-6,12,19H,7-11H2,1-2H3,(H,18,21)
InChIKeyGUTDBWRCYMUMLJ-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527858
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979
4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide
CID 104782857
3-(dimethylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525606
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
2,4-diamino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527081
5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
CID 55081948
6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide
CID 62551682
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The IUPAC name of 4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (CID 86791516) is 4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The canonical SMILES for 4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide is CC(=O)c1ccc(C(=O)NC2(CO)CCC(C)CC2)cc1.
What is the InChIKey of 4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The InChIKey is GUTDBWRCYMUMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-7-9-17(11-19,10-8-12)18-16(21)15-5-3-14(4-6-15)13(2)20/h3-6,12,19H,7-11H2,1-2H3,(H,18,21).
What are the key properties of 4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide is sourced from PubChem (CID 86791516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).