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

C14H25NO — CID 59793391

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
SMILESCCCC(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H25NO/c1-5-7-14(16)15-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3,(H,15,16)/b13-10+
InChIKeyKARFDVWKHSKYJK-JLHYYAGUSA-N
MW223.36 g/mol
LogP3.60
Rot. Bonds7

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

N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide (PubChem CID 59793391) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
PubChem CID59793391
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
SMILESCCCC(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H25NO/c1-5-7-14(16)15-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3,(H,15,16)/b13-10+
InChIKeyKARFDVWKHSKYJK-JLHYYAGUSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.60
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-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
CID 71441350
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
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
N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide
CID 57095589
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)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(1H-indol-3-yl)propanamide
CID 70154649

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide (CID 59793391) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide is CCCC(=O)NC/C=C(\C)CCC=C(C)C.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide?
The InChIKey is KARFDVWKHSKYJK-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-7-14(16)15-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3,(H,15,16)/b13-10+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide has a molecular weight of 223.36 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide is sourced from PubChem (CID 59793391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).