N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide

C17H29NO — CID 59545833

IUPACN-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide
SMILESC/C=C(\C=C\CCNC=O)CCC1CCC(C)CC1
InChIInChI=1S/C17H29NO/c1-3-16(6-4-5-13-18-14-19)11-12-17-9-7-15(2)8-10-17/h3-4,6,14-15,17H,5,7-13H2,1-2H3,(H,18,19)/b6-4+,16-3+
InChIKeyCYOSRPRVMZRYLT-KUAJAKGOSA-N
MW263.42 g/mol
LogP4.23
Rot. Bonds8

About N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide

N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide (PubChem CID 59545833) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide.

Molecular Properties

Compound NameN-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide
PubChem CID59545833
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide
SMILESC/C=C(\C=C\CCNC=O)CCC1CCC(C)CC1
InChIInChI=1S/C17H29NO/c1-3-16(6-4-5-13-18-14-19)11-12-17-9-7-15(2)8-10-17/h3-4,6,14-15,17H,5,7-13H2,1-2H3,(H,18,19)/b6-4+,16-3+
InChIKeyCYOSRPRVMZRYLT-KUAJAKGOSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.23
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'}

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Related Compounds

Theonellin formamide
CID 5387261
N-[1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexyl]formamide
CID 360237
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-[(3E,5Z)-5-(2-cyclohexylethyl)hepta-3,5-dienyl]formamide
CID 91215157
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
N-[2-(3,6-dimethylcyclohexa-1,3-dien-1-yl)ethyl]formamide
CID 169838489

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide?
The IUPAC name of N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide (CID 59545833) is N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide.
What is the SMILES notation for N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide?
The canonical SMILES for N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide is C/C=C(\C=C\CCNC=O)CCC1CCC(C)CC1.
What is the InChIKey of N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide?
The InChIKey is CYOSRPRVMZRYLT-KUAJAKGOSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-16(6-4-5-13-18-14-19)11-12-17-9-7-15(2)8-10-17/h3-4,6,14-15,17H,5,7-13H2,1-2H3,(H,18,19)/b6-4+,16-3+.
What are the key properties of N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide?
N-[(3E,5Z)-5-[2-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide has a molecular weight of 263.42 g/mol, XLogP of 4.23, 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-(4-methylcyclohexyl)ethyl]hepta-3,5-dienyl]formamide is sourced from PubChem (CID 59545833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).