2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide

C14H24N2O2 — CID 84571240

IUPAC2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide
SMILESC=CCN(CC(=O)N(C)C1CCCCC1)C(C)=O
InChIInChI=1S/C14H24N2O2/c1-4-10-16(12(2)17)11-14(18)15(3)13-8-6-5-7-9-13/h4,13H,1,5-11H2,2-3H3
InChIKeyXVJCIMGFPBCJNX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.81
Rot. Bonds5

About 2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide

2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide (PubChem CID 84571240) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide
PubChem CID84571240
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide
SMILESC=CCN(CC(=O)N(C)C1CCCCC1)C(C)=O
InChIInChI=1S/C14H24N2O2/c1-4-10-16(12(2)17)11-14(18)15(3)13-8-6-5-7-9-13/h4,13H,1,5-11H2,2-3H3
InChIKeyXVJCIMGFPBCJNX-UHFFFAOYSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide (CID 84571240) is 2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide is C=CCN(CC(=O)N(C)C1CCCCC1)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is XVJCIMGFPBCJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-10-16(12(2)17)11-14(18)15(3)13-8-6-5-7-9-13/h4,13H,1,5-11H2,2-3H3.
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide?
2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 252.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 84571240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).