N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide

C17H29NO — CID 142142214

IUPACN-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide
SMILESC=CCCC/C(=C\C)C(C)NC(=O)C1CCCCC1
InChIInChI=1S/C17H29NO/c1-4-6-8-11-15(5-2)14(3)18-17(19)16-12-9-7-10-13-16/h4-5,14,16H,1,6-13H2,2-3H3,(H,18,19)/b15-5+
InChIKeyUCPGBMXYKNHTKA-PJQLUOCWSA-N
MW263.43 g/mol
LogP4.37
Rot. Bonds7

About N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide

N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide (PubChem CID 142142214) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide
PubChem CID142142214
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide
SMILESC=CCCC/C(=C\C)C(C)NC(=O)C1CCCCC1
InChIInChI=1S/C17H29NO/c1-4-6-8-11-15(5-2)14(3)18-17(19)16-12-9-7-10-13-16/h4-5,14,16H,1,6-13H2,2-3H3,(H,18,19)/b15-5+
InChIKeyUCPGBMXYKNHTKA-PJQLUOCWSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide 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-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide (CID 142142214) is N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide is C=CCCC/C(=C\C)C(C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide?
The InChIKey is UCPGBMXYKNHTKA-PJQLUOCWSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-6-8-11-15(5-2)14(3)18-17(19)16-12-9-7-10-13-16/h4-5,14,16H,1,6-13H2,2-3H3,(H,18,19)/b15-5+.
What are the key properties of N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide?
N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide has a molecular weight of 263.43 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-ethylideneoct-7-en-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 142142214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).