2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide

C16H27NO2 — CID 65124247

IUPAC2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
SMILESCC1CCCC(O)(CNC(=O)CC2=CCCCC2)C1
InChIInChI=1S/C16H27NO2/c1-13-6-5-9-16(19,11-13)12-17-15(18)10-14-7-3-2-4-8-14/h7,13,19H,2-6,8-12H2,1H3,(H,17,18)
InChIKeyRDAAWPQCWVOGNP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.93
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide

2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide (PubChem CID 65124247) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
PubChem CID65124247
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
SMILESCC1CCCC(O)(CNC(=O)CC2=CCCCC2)C1
InChIInChI=1S/C16H27NO2/c1-13-6-5-9-16(19,11-13)12-17-15(18)10-14-7-3-2-4-8-14/h7,13,19H,2-6,8-12H2,1H3,(H,17,18)
InChIKeyRDAAWPQCWVOGNP-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 142231220
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65123948
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148225
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65123962
1-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 64550463
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65124105
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide
CID 65124279
3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65124351

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide (CID 65124247) is 2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide is CC1CCCC(O)(CNC(=O)CC2=CCCCC2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
The InChIKey is RDAAWPQCWVOGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13-6-5-9-16(19,11-13)12-17-15(18)10-14-7-3-2-4-8-14/h7,13,19H,2-6,8-12H2,1H3,(H,17,18).
What are the key properties of 2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 65124247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).