N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide

C18H29NO — CID 142004954

IUPACN-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide
SMILESC=CCCC(/C=C\CCC1=CCCCC1)CCNC=O
InChIInChI=1S/C18H29NO/c1-2-3-9-18(14-15-19-16-20)13-8-7-12-17-10-5-4-6-11-17/h2,8,10,13,16,18H,1,3-7,9,11-12,14-15H2,(H,19,20)/b13-8-
InChIKeyGVEDACUKXJSGLI-JYRVWZFOSA-N
MW275.44 g/mol
LogP4.54
Rot. Bonds11

About N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide

N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide (PubChem CID 142004954) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide
PubChem CID142004954
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide
SMILESC=CCCC(/C=C\CCC1=CCCCC1)CCNC=O
InChIInChI=1S/C18H29NO/c1-2-3-9-18(14-15-19-16-20)13-8-7-12-17-10-5-4-6-11-17/h2,8,10,13,16,18H,1,3-7,9,11-12,14-15H2,(H,19,20)/b13-8-
InChIKeyGVEDACUKXJSGLI-JYRVWZFOSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.54
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide?
The IUPAC name of N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide (CID 142004954) is N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide.
What is the SMILES notation for N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide?
The canonical SMILES for N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide is C=CCCC(/C=C\CCC1=CCCCC1)CCNC=O.
What is the InChIKey of N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide?
The InChIKey is GVEDACUKXJSGLI-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-3-9-18(14-15-19-16-20)13-8-7-12-17-10-5-4-6-11-17/h2,8,10,13,16,18H,1,3-7,9,11-12,14-15H2,(H,19,20)/b13-8-.
What are the key properties of N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide?
N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide has a molecular weight of 275.44 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-but-3-enyl-7-(cyclohexen-1-yl)hept-4-enyl]formamide is sourced from PubChem (CID 142004954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).