N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide

C15H21NO — CID 163789777

IUPACN-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide
SMILESC=CN(C(=O)C1CCCCC1)C1C=CC=CC1
InChIInChI=1S/C15H21NO/c1-2-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h2,4,7-8,11,13-14H,1,3,5-6,9-10,12H2
InChIKeyMVQXCYBVEFEWRG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.42
Rot. Bonds3

About N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide

N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide (PubChem CID 163789777) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide
PubChem CID163789777
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide
SMILESC=CN(C(=O)C1CCCCC1)C1C=CC=CC1
InChIInChI=1S/C15H21NO/c1-2-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h2,4,7-8,11,13-14H,1,3,5-6,9-10,12H2
InChIKeyMVQXCYBVEFEWRG-UHFFFAOYSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide (CID 163789777) is N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide is C=CN(C(=O)C1CCCCC1)C1C=CC=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide?
The InChIKey is MVQXCYBVEFEWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h2,4,7-8,11,13-14H,1,3,5-6,9-10,12H2.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide?
N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide has a molecular weight of 231.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide is sourced from PubChem (CID 163789777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).