3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide

C18H31NO — CID 132459359

IUPAC3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide
SMILESCC(=CCC/C(=C/CNC(=O)CCC1CCCC1)/C)C
InChIInChI=1S/C18H31NO/c1-15(2)7-6-8-16(3)13-14-19-18(20)12-11-17-9-4-5-10-17/h7,13,17H,4-6,8-12,14H2,1-3H3,(H,19,20)/b16-13+
InChIKeyAGORZVNYXGBHGV-DTQAZKPQSA-N
MW277.40 g/mol
LogP5.40
Rot. Bonds8

About 3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide

3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide (PubChem CID 132459359) has the molecular formula C18H31NO and a molecular weight of 277.40 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide
PubChem CID132459359
Molecular FormulaC18H31NO
Molecular Weight277.40 g/mol
Exact Mass277.24
IUPAC Name3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide
SMILESCC(=CCC/C(=C/CNC(=O)CCC1CCCC1)/C)C
InChIInChI=1S/C18H31NO/c1-15(2)7-6-8-16(3)13-14-19-18(20)12-11-17-9-4-5-10-17/h7,13,17H,4-6,8-12,14H2,1-3H3,(H,19,20)/b16-13+
InChIKeyAGORZVNYXGBHGV-DTQAZKPQSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity344

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.40
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide
CID 162644302
(Z)-N-(2-methylpropyl)octadec-9-enamide
CID 73897824
(9Z,12Z)-N-(3-methylbutyl)octadeca-9,12-dienamide
CID 76323953
ALA-VPA Conjugate-1
CID 162650105
(Z)-N-prop-2-enyloctadec-9-enamide
CID 10805746
1-Cyclohexene-1-acetamide, 4-cyclohexyl-N-ethyl-alpha-methyl-
CID 206764
5,9-dimethyl-N-octyldec-8-enamide
CID 44561012
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
CID 4621429
[4-[[(3-Propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite
CID 154931540
N-cyclohexyl-2-methyl-5-propan-2-ylidenecyclopent-2-ene-1-carboxamide
CID 284625
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-methylbutanamide
CID 2931795

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide (CID 132459359) is 3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide is CC(=CCC/C(=C/CNC(=O)CCC1CCCC1)/C)C.
What is the InChIKey of 3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide?
The InChIKey is AGORZVNYXGBHGV-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H31NO/c1-15(2)7-6-8-16(3)13-14-19-18(20)12-11-17-9-4-5-10-17/h7,13,17H,4-6,8-12,14H2,1-3H3,(H,19,20)/b16-13+.
What are the key properties of 3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide?
3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide has a molecular weight of 277.40 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide is sourced from PubChem (CID 132459359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).