N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide

C15H25NO2 — CID 118119915

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)6-5-7-13(3)10-11-16-15(18)9-8-14(4)17/h6,10H,5,7-9,11H2,1-4H3,(H,16,18)/b13-10+
InChIKeyNGAUGFNWIAQLMG-JLHYYAGUSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds8

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide (PubChem CID 118119915) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
PubChem CID118119915
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)6-5-7-13(3)10-11-16-15(18)9-8-14(4)17/h6,10H,5,7-9,11H2,1-4H3,(H,16,18)/b13-10+
InChIKeyNGAUGFNWIAQLMG-JLHYYAGUSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
CID 71441350
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 10656136
3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide
CID 10362671
(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide
CID 11521413
2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
CID 14834790
(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide
CID 170133551
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide (CID 118119915) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide is CC(=O)CCC(=O)NC/C=C(\C)CCC=C(C)C.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide?
The InChIKey is NGAUGFNWIAQLMG-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)6-5-7-13(3)10-11-16-15(18)9-8-14(4)17/h6,10H,5,7-9,11H2,1-4H3,(H,16,18)/b13-10+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide has a molecular weight of 251.37 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide is sourced from PubChem (CID 118119915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).