N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide

C13H23NO — CID 67980786

IUPACN-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide
SMILESCNC(=O)CC1C=C(C)CCC1C(C)C
InChIInChI=1S/C13H23NO/c1-9(2)12-6-5-10(3)7-11(12)8-13(15)14-4/h7,9,11-12H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyZKNZKFDYOXKCDR-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.75
Rot. Bonds3

About N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide

N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide (PubChem CID 67980786) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide
PubChem CID67980786
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide
SMILESCNC(=O)CC1C=C(C)CCC1C(C)C
InChIInChI=1S/C13H23NO/c1-9(2)12-6-5-10(3)7-11(12)8-13(15)14-4/h7,9,11-12H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyZKNZKFDYOXKCDR-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide?
The IUPAC name of N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide (CID 67980786) is N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide is CNC(=O)CC1C=C(C)CCC1C(C)C.
What is the InChIKey of N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide?
The InChIKey is ZKNZKFDYOXKCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(2)12-6-5-10(3)7-11(12)8-13(15)14-4/h7,9,11-12H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide?
N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide has a molecular weight of 209.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide is sourced from PubChem (CID 67980786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).