N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide

C22H36N2O2 — CID 59266741

IUPACN,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)C(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C22H36N2O2/c1-17(2)9-7-11-19(5)13-15-23-21(25)22(26)24-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H,23,25)(H,24,26)/b19-13+,20-14+
InChIKeyFBFVPCAOLCYYBC-IWGRKNQJSA-N
MW360.54 g/mol
LogP4.60
Rot. Bonds10

About N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide

N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide (PubChem CID 59266741) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
PubChem CID59266741
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)C(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C22H36N2O2/c1-17(2)9-7-11-19(5)13-15-23-21(25)22(26)24-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H,23,25)(H,24,26)/b19-13+,20-14+
InChIKeyFBFVPCAOLCYYBC-IWGRKNQJSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
CID 71441350
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide;methane;methyl 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-oxoacetate
CID 158673741
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
(3R,4R,5S)-N-(3,7-dimethylocta-2,6-dienyl)-3,4,5,6-tetrahydroxy-2-oxohexanamide
CID 91529414
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(2S,3S,4S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,4,5-tetrahydroxy-6-oxohexanamide
CID 87282705
prop-2-ynyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895243

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide?
The IUPAC name of N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide (CID 59266741) is N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide.
What is the SMILES notation for N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide?
The canonical SMILES for N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide is CC(C)=CCC/C(C)=C/CNC(=O)C(=O)NC/C=C(\C)CCC=C(C)C.
What is the InChIKey of N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide?
The InChIKey is FBFVPCAOLCYYBC-IWGRKNQJSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-17(2)9-7-11-19(5)13-15-23-21(25)22(26)24-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H,23,25)(H,24,26)/b19-13+,20-14+.
What are the key properties of N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide?
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide has a molecular weight of 360.54 g/mol, XLogP of 4.60, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide is sourced from PubChem (CID 59266741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).