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

C20H33NO — CID 59793401

IUPAC(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C\CNC(=O)/C=C(/C)CCC=C(C)C
InChIInChI=1S/C20H33NO/c1-16(2)9-7-11-18(5)13-14-21-20(22)15-19(6)12-8-10-17(3)4/h9-10,13,15H,7-8,11-12,14H2,1-6H3,(H,21,22)/b18-13-,19-15-
InChIKeyDAFMOQTZWUWDHY-ONPJFLAQSA-N
MW303.49 g/mol
LogP5.49
Rot. Bonds9

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

(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide (PubChem CID 59793401) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is (2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound Name(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
PubChem CID59793401
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C\CNC(=O)/C=C(/C)CCC=C(C)C
InChIInChI=1S/C20H33NO/c1-16(2)9-7-11-18(5)13-14-21-20(22)15-19(6)12-8-10-17(3)4/h9-10,13,15H,7-8,11-12,14H2,1-6H3,(H,21,22)/b18-13-,19-15-
InChIKeyDAFMOQTZWUWDHY-ONPJFLAQSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide with MolForge

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Related Compounds

N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
CID 71441350
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide
CID 11521413
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 54133454
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 10656136
N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
3,7,11,15-tetramethyl-N-(1-sulfanylethyl)hexadeca-2,6,10,14-tetraenamide
CID 57031108
(2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid
CID 10473146
(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 (2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of (2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide (CID 59793401) is (2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for (2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for (2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide is CC(C)=CCC/C(C)=C\CNC(=O)/C=C(/C)CCC=C(C)C.
What is the InChIKey of (2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide?
The InChIKey is DAFMOQTZWUWDHY-ONPJFLAQSA-N. The full InChI is InChI=1S/C20H33NO/c1-16(2)9-7-11-18(5)13-14-21-20(22)15-19(6)12-8-10-17(3)4/h9-10,13,15H,7-8,11-12,14H2,1-6H3,(H,21,22)/b18-13-,19-15-.
What are the key properties of (2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide?
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide has a molecular weight of 303.49 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 59793401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).