2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide

C16H27NO — CID 142231220

IUPAC2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C16H27NO/c1-13-7-9-15(10-8-13)12-17-16(18)11-14-5-3-2-4-6-14/h5,13,15H,2-4,6-12H2,1H3,(H,17,18)
InChIKeyMDUZKBAUQNRLMV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.82
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide

2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide (PubChem CID 142231220) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
PubChem CID142231220
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C16H27NO/c1-13-7-9-15(10-8-13)12-17-16(18)11-14-5-3-2-4-6-14/h5,13,15H,2-4,6-12H2,1H3,(H,17,18)
InChIKeyMDUZKBAUQNRLMV-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 106121943
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2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
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N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
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2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 62404558
2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide
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CID 116659708
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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide (CID 142231220) is 2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide is CC1CCC(CNC(=O)CC2=CCCCC2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide?
The InChIKey is MDUZKBAUQNRLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13-7-9-15(10-8-13)12-17-16(18)11-14-5-3-2-4-6-14/h5,13,15H,2-4,6-12H2,1H3,(H,17,18).
What are the key properties of 2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide?
2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide has a molecular weight of 249.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 142231220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).