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

C12H21NO — CID 14993064

IUPACN-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
SMILESCC(=O)NC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C12H21NO/c1-10(2)6-5-7-11(3)8-9-13-12(4)14/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b11-8-
InChIKeyCJEIWYRAGBZMAB-FLIBITNWSA-N
MW195.31 g/mol
LogP2.82
Rot. Bonds5

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

N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide (PubChem CID 14993064) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide.

Molecular Properties

Compound NameN-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
PubChem CID14993064
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
SMILESCC(=O)NC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C12H21NO/c1-10(2)6-5-7-11(3)8-9-13-12(4)14/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b11-8-
InChIKeyCJEIWYRAGBZMAB-FLIBITNWSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.82
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,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
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 10656136
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide
CID 11521413
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
prop-2-ynyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895243
1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid
CID 151276822
(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine
CID 141263523
7,11-dimethyl-3-oxododeca-6,10-dienoic acid
CID 71333058

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide?
The IUPAC name of N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide (CID 14993064) is N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide.
What is the SMILES notation for N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide?
The canonical SMILES for N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide is CC(=O)NC/C=C(/C)CCC=C(C)C.
What is the InChIKey of N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide?
The InChIKey is CJEIWYRAGBZMAB-FLIBITNWSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)6-5-7-11(3)8-9-13-12(4)14/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b11-8-.
What are the key properties of N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide?
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide has a molecular weight of 195.31 g/mol, XLogP of 2.82, 5 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]acetamide is sourced from PubChem (CID 14993064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).