4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide

C18H31NO — CID 144537427

IUPAC4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide
SMILESC/C(=C\CCC(C)(C)C1=CCC(C(N)=O)CC1)C(C)C
InChIInChI=1S/C18H31NO/c1-13(2)14(3)7-6-12-18(4,5)16-10-8-15(9-11-16)17(19)20/h7,10,13,15H,6,8-9,11-12H2,1-5H3,(H2,19,20)/b14-7+
InChIKeyWDEDNMZZMIZCQZ-VGOFMYFVSA-N
MW277.45 g/mol
LogP4.61
Rot. Bonds6

About 4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide

4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 144537427) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide
PubChem CID144537427
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide
SMILESC/C(=C\CCC(C)(C)C1=CCC(C(N)=O)CC1)C(C)C
InChIInChI=1S/C18H31NO/c1-13(2)14(3)7-6-12-18(4,5)16-10-8-15(9-11-16)17(19)20/h7,10,13,15H,6,8-9,11-12H2,1-5H3,(H2,19,20)/b14-7+
InChIKeyWDEDNMZZMIZCQZ-VGOFMYFVSA-N
XLogP4.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide 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 4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of 4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide (CID 144537427) is 4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide is C/C(=C\CCC(C)(C)C1=CCC(C(N)=O)CC1)C(C)C.
What is the InChIKey of 4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is WDEDNMZZMIZCQZ-VGOFMYFVSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)14(3)7-6-12-18(4,5)16-10-8-15(9-11-16)17(19)20/h7,10,13,15H,6,8-9,11-12H2,1-5H3,(H2,19,20)/b14-7+.
What are the key properties of 4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide?
4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 277.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2,6,7-trimethyloct-5-en-2-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 144537427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).