bis(dodecanamide);hex-1-ene

C30H62N2O2 — CID 159337008

IUPACbis(dodecanamide);hex-1-ene
SMILESC=CCCCC.CCCCCCCCCCCC(N)=O.CCCCCCCCCCCC(N)=O
InChIInChI=1S/2C12H25NO.C6H12/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-6-4-2/h2*2-11H2,1H3,(H2,13,14);3H,1,4-6H2,2H3
InChIKeyLFQZZWPRSPNWNE-UHFFFAOYSA-N
MW482.84 g/mol
LogP9.15
Rot. Bonds23

About bis(dodecanamide);hex-1-ene

bis(dodecanamide);hex-1-ene (PubChem CID 159337008) has the molecular formula C30H62N2O2 and a molecular weight of 482.84 g/mol. Its IUPAC name is bis(dodecanamide);hex-1-ene.

Molecular Properties

Compound Namebis(dodecanamide);hex-1-ene
PubChem CID159337008
Molecular FormulaC30H62N2O2
Molecular Weight482.84 g/mol
Exact Mass482.48
IUPAC Namebis(dodecanamide);hex-1-ene
SMILESC=CCCCC.CCCCCCCCCCCC(N)=O.CCCCCCCCCCCC(N)=O
InChIInChI=1S/2C12H25NO.C6H12/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-6-4-2/h2*2-11H2,1H3,(H2,13,14);3H,1,4-6H2,2H3
InChIKeyLFQZZWPRSPNWNE-UHFFFAOYSA-N
XLogP9.15
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.84
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonadec-18-enamide
CID 166991988
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
pentacos-1-en-11-one
CID 21420755
pentadec-14-en-7-one
CID 11528685
tricos-1-en-11-one
CID 146680996
bis((Z)-hexadec-9-enamide);prop-1-ene
CID 158850340
(Z)-docos-13-enamide;prop-2-en-1-amine;hydrobromide
CID 175531495
butane;octanamide
CID 87511414
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213

Frequently Asked Questions

What is the IUPAC name of bis(dodecanamide);hex-1-ene?
The IUPAC name of bis(dodecanamide);hex-1-ene (CID 159337008) is bis(dodecanamide);hex-1-ene.
What is the SMILES notation for bis(dodecanamide);hex-1-ene?
The canonical SMILES for bis(dodecanamide);hex-1-ene is C=CCCCC.CCCCCCCCCCCC(N)=O.CCCCCCCCCCCC(N)=O.
What is the InChIKey of bis(dodecanamide);hex-1-ene?
The InChIKey is LFQZZWPRSPNWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25NO.C6H12/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-6-4-2/h2*2-11H2,1H3,(H2,13,14);3H,1,4-6H2,2H3.
What are the key properties of bis(dodecanamide);hex-1-ene?
bis(dodecanamide);hex-1-ene has a molecular weight of 482.84 g/mol, XLogP of 9.15, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dodecanamide);hex-1-ene is sourced from PubChem (CID 159337008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).