N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide

C16H27NO — CID 91215157

IUPACN-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide
SMILESC/C=C(\C=C\CCNC=O)CCC1CCCCC1
InChIInChI=1S/C16H27NO/c1-2-15(8-6-7-13-17-14-18)11-12-16-9-4-3-5-10-16/h2,6,8,14,16H,3-5,7,9-13H2,1H3,(H,17,18)/b8-6+,15-2+
InChIKeyGCSFHPGWKNXXGI-FPLPLHDLSA-N
MW249.40 g/mol
LogP3.99
Rot. Bonds8

About N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide

N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide (PubChem CID 91215157) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide.

Molecular Properties

Compound NameN-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide
PubChem CID91215157
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide
SMILESC/C=C(\C=C\CCNC=O)CCC1CCCCC1
InChIInChI=1S/C16H27NO/c1-2-15(8-6-7-13-17-14-18)11-12-16-9-4-3-5-10-16/h2,6,8,14,16H,3-5,7,9-13H2,1H3,(H,17,18)/b8-6+,15-2+
InChIKeyGCSFHPGWKNXXGI-FPLPLHDLSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide with MolForge

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

Launch Full Analysis

Related Compounds

Theonellin formamide
CID 5387261
N-[1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexyl]formamide
CID 360237
N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide
CID 59545833
N-(4-cyclohexylbut-3-enyl)formamide
CID 88121572
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]formamide
CID 88753113
N-[(2Z,4Z)-6-(cyclohexen-1-yl)hexa-2,4-dienyl]formamide
CID 89940389
N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide
CID 142004954
N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide
CID 142088055
ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide
CID 142874614
ethane;N-[2-(1,2,3,4,5,6-hexahydronaphthalen-1-yl)ethyl]formamide
CID 142874625
N-[(2S,11Z,14Z)-2-butylicosa-11,14-dienyl]formamide
CID 156280671
N-[3-[3-(cyclohexen-1-yl)propyl]hept-6-enyl]formamide
CID 164079128

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide?
The IUPAC name of N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide (CID 91215157) is N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide.
What is the SMILES notation for N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide?
The canonical SMILES for N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide is C/C=C(\C=C\CCNC=O)CCC1CCCCC1.
What is the InChIKey of N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide?
The InChIKey is GCSFHPGWKNXXGI-FPLPLHDLSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-15(8-6-7-13-17-14-18)11-12-16-9-4-3-5-10-16/h2,6,8,14,16H,3-5,7,9-13H2,1H3,(H,17,18)/b8-6+,15-2+.
What are the key properties of N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide?
N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide has a molecular weight of 249.40 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide is sourced from PubChem (CID 91215157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).