N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide

C24H38N2O2 — CID 71441350

IUPACN,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
SMILESCC(C)=CCCC(C)=CCNC(=O)C=CC(=O)NCC=C(C)CCC=C(C)C
InChIInChI=1S/C24H38N2O2/c1-19(2)9-7-11-21(5)15-17-25-23(27)13-14-24(28)26-18-16-22(6)12-8-10-20(3)4/h9-10,13-16H,7-8,11-12,17-18H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyONZIEPWQNMRXMK-UHFFFAOYSA-N
MW386.58 g/mol
LogP5.16
Rot. Bonds12

About N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide

N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide (PubChem CID 71441350) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide.

Molecular Properties

Compound NameN,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
PubChem CID71441350
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC NameN,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
SMILESCC(C)=CCCC(C)=CCNC(=O)C=CC(=O)NCC=C(C)CCC=C(C)C
InChIInChI=1S/C24H38N2O2/c1-19(2)9-7-11-21(5)15-17-25-23(27)13-14-24(28)26-18-16-22(6)12-8-10-20(3)4/h9-10,13-16H,7-8,11-12,17-18H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyONZIEPWQNMRXMK-UHFFFAOYSA-N
XLogP5.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide
CID 11521413
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 10656136
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
(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,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide?
The IUPAC name of N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide (CID 71441350) is N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide.
What is the SMILES notation for N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide?
The canonical SMILES for N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide is CC(C)=CCCC(C)=CCNC(=O)C=CC(=O)NCC=C(C)CCC=C(C)C.
What is the InChIKey of N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide?
The InChIKey is ONZIEPWQNMRXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-19(2)9-7-11-21(5)15-17-25-23(27)13-14-24(28)26-18-16-22(6)12-8-10-20(3)4/h9-10,13-16H,7-8,11-12,17-18H2,1-6H3,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide?
N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide has a molecular weight of 386.58 g/mol, XLogP of 5.16, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide is sourced from PubChem (CID 71441350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).