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

C13H23NO — CID 11637078

IUPACN-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide
SMILESCCC(=O)NC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C13H23NO/c1-5-13(15)14-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3,(H,14,15)/b12-9-
InChIKeyXEZWYEGQRYWBLW-XFXZXTDPSA-N
MW209.33 g/mol
LogP3.21
Rot. Bonds6

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

N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide (PubChem CID 11637078) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide.

Molecular Properties

Compound NameN-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide
PubChem CID11637078
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide
SMILESCCC(=O)NC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C13H23NO/c1-5-13(15)14-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3,(H,14,15)/b12-9-
InChIKeyXEZWYEGQRYWBLW-XFXZXTDPSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.21
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

N-3,7-Dimethyl-2,6-octadienyl cyclopropylcarboxamide, (2E)-
CID 11658617
N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]propanamide
CID 44406747
(2E)-N-(3-aminopropyl)-3,7-dimethylocta-2,6-dienamide
CID 60168428
(2E)-N-[3-(3-aminopropylamino)propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168613
(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide
CID 71525237
(E)-N-(2-methylpropyl)oct-2-enamide
CID 14188010
(2E,6E)-N-allyl-3,7,11-trimethyl-dodeca-2,6,10-trienamide
CID 5275518
N-isobutyl-2,6-decadienamide
CID 129834243
N1-acetyl-N7-4''-methyl-3''-pentenoyl cadaverine
CID 139591679
N-(2-methylpropyl)undec-3-en-8,10-diynamide
CID 162965383
(2e,7z)-N-isobutyl-2,7-decadienamide
CID 129848087
N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 5226821

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide?
The IUPAC name of N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide (CID 11637078) is N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide.
What is the SMILES notation for N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide?
The canonical SMILES for N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide is CCC(=O)NC/C=C(/C)CCC=C(C)C.
What is the InChIKey of N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide?
The InChIKey is XEZWYEGQRYWBLW-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-13(15)14-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3,(H,14,15)/b12-9-.
What are the key properties of N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide?
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide has a molecular weight of 209.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide is sourced from PubChem (CID 11637078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).