N,N'-bis[(E)-hept-2-enyl]hexanediamide

C20H36N2O2 — CID 101279945

IUPACN,N'-bis[(E)-hept-2-enyl]hexanediamide
SMILESCCCC/C=C/CNC(=O)CCCCC(=O)NC/C=C/CCCC
InChIInChI=1S/C20H36N2O2/c1-3-5-7-9-13-17-21-19(23)15-11-12-16-20(24)22-18-14-10-8-6-4-2/h9-10,13-14H,3-8,11-12,15-18H2,1-2H3,(H,21,23)(H,22,24)/b13-9+,14-10+
InChIKeyKPYCTXFBQBHWLG-UTLPMFLDSA-N
MW336.52 g/mol
LogP4.27
Rot. Bonds15

About N,N'-bis[(E)-hept-2-enyl]hexanediamide

N,N'-bis[(E)-hept-2-enyl]hexanediamide (PubChem CID 101279945) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N,N'-bis[(E)-hept-2-enyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-hept-2-enyl]hexanediamide
PubChem CID101279945
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC NameN,N'-bis[(E)-hept-2-enyl]hexanediamide
SMILESCCCC/C=C/CNC(=O)CCCCC(=O)NC/C=C/CCCC
InChIInChI=1S/C20H36N2O2/c1-3-5-7-9-13-17-21-19(23)15-11-12-16-20(24)22-18-14-10-8-6-4-2/h9-10,13-14H,3-8,11-12,15-18H2,1-2H3,(H,21,23)(H,22,24)/b13-9+,14-10+
InChIKeyKPYCTXFBQBHWLG-UTLPMFLDSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.27
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

N,N'-bis[(E)-non-2-enyl]hexanediamide
CID 101279958
(Z)-N-prop-2-enyloctadec-9-enamide
CID 10805746
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-hept-2-enyl]hexanediamide?
The IUPAC name of N,N'-bis[(E)-hept-2-enyl]hexanediamide (CID 101279945) is N,N'-bis[(E)-hept-2-enyl]hexanediamide.
What is the SMILES notation for N,N'-bis[(E)-hept-2-enyl]hexanediamide?
The canonical SMILES for N,N'-bis[(E)-hept-2-enyl]hexanediamide is CCCC/C=C/CNC(=O)CCCCC(=O)NC/C=C/CCCC.
What is the InChIKey of N,N'-bis[(E)-hept-2-enyl]hexanediamide?
The InChIKey is KPYCTXFBQBHWLG-UTLPMFLDSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-3-5-7-9-13-17-21-19(23)15-11-12-16-20(24)22-18-14-10-8-6-4-2/h9-10,13-14H,3-8,11-12,15-18H2,1-2H3,(H,21,23)(H,22,24)/b13-9+,14-10+.
What are the key properties of N,N'-bis[(E)-hept-2-enyl]hexanediamide?
N,N'-bis[(E)-hept-2-enyl]hexanediamide has a molecular weight of 336.52 g/mol, XLogP of 4.27, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-hept-2-enyl]hexanediamide is sourced from PubChem (CID 101279945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).