3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide

C15H25NO2 — CID 89058296

IUPAC3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide
SMILESCCC(C)CC(=O)N(CC=O)C1C=CCCC1C
InChIInChI=1S/C15H25NO2/c1-4-12(2)11-15(18)16(9-10-17)14-8-6-5-7-13(14)3/h6,8,10,12-14H,4-5,7,9,11H2,1-3H3
InChIKeyVJDGIIDOEFYPEZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.80
Rot. Bonds6

About 3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide

3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide (PubChem CID 89058296) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide.

Molecular Properties

Compound Name3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide
PubChem CID89058296
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide
SMILESCCC(C)CC(=O)N(CC=O)C1C=CCCC1C
InChIInChI=1S/C15H25NO2/c1-4-12(2)11-15(18)16(9-10-17)14-8-6-5-7-13(14)3/h6,8,10,12-14H,4-5,7,9,11H2,1-3H3
InChIKeyVJDGIIDOEFYPEZ-UHFFFAOYSA-N
XLogP2.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide?
The IUPAC name of 3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide (CID 89058296) is 3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide.
What is the SMILES notation for 3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide?
The canonical SMILES for 3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide is CCC(C)CC(=O)N(CC=O)C1C=CCCC1C.
What is the InChIKey of 3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide?
The InChIKey is VJDGIIDOEFYPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-12(2)11-15(18)16(9-10-17)14-8-6-5-7-13(14)3/h6,8,10,12-14H,4-5,7,9,11H2,1-3H3.
What are the key properties of 3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide?
3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide has a molecular weight of 251.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide is sourced from PubChem (CID 89058296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).