N,N'-bis(prop-2-ynyl)octadec-9-enediamide

C24H38N2O2 — CID 90949780

IUPACN,N'-bis(prop-2-ynyl)octadec-9-enediamide
SMILESC#CCNC(=O)CCCCCCCC=CCCCCCCCC(=O)NCC#C
InChIInChI=1S/C24H38N2O2/c1-3-21-25-23(27)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-24(28)26-22-4-2/h1-2,5-6H,7-22H2,(H,25,27)(H,26,28)
InChIKeyHZPJBEBTIVEXHZ-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.50
Rot. Bonds18

About N,N'-bis(prop-2-ynyl)octadec-9-enediamide

N,N'-bis(prop-2-ynyl)octadec-9-enediamide (PubChem CID 90949780) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is N,N'-bis(prop-2-ynyl)octadec-9-enediamide.

Molecular Properties

Compound NameN,N'-bis(prop-2-ynyl)octadec-9-enediamide
PubChem CID90949780
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC NameN,N'-bis(prop-2-ynyl)octadec-9-enediamide
SMILESC#CCNC(=O)CCCCCCCC=CCCCCCCCC(=O)NCC#C
InChIInChI=1S/C24H38N2O2/c1-3-21-25-23(27)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-24(28)26-22-4-2/h1-2,5-6H,7-22H2,(H,25,27)(H,26,28)
InChIKeyHZPJBEBTIVEXHZ-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.50
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane
CID 143956023
19-(dimethylamino)-N-prop-2-ynylnonadec-10-enamide
CID 143956028
N-prop-2-ynyl-11-sulfanylundecanamide
CID 102527200
6-oxo-6-(prop-2-ynylamino)hexanoic acid
CID 43529221
4-amino-N-prop-2-ynylbutanamide
CID 24695167
(Z)-N-(3,3-diaminobutyl)octadec-9-en-17-ynamide
CID 145163611
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(prop-2-ynyl)octadec-9-enediamide?
The IUPAC name of N,N'-bis(prop-2-ynyl)octadec-9-enediamide (CID 90949780) is N,N'-bis(prop-2-ynyl)octadec-9-enediamide.
What is the SMILES notation for N,N'-bis(prop-2-ynyl)octadec-9-enediamide?
The canonical SMILES for N,N'-bis(prop-2-ynyl)octadec-9-enediamide is C#CCNC(=O)CCCCCCCC=CCCCCCCCC(=O)NCC#C.
What is the InChIKey of N,N'-bis(prop-2-ynyl)octadec-9-enediamide?
The InChIKey is HZPJBEBTIVEXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-3-21-25-23(27)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-24(28)26-22-4-2/h1-2,5-6H,7-22H2,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis(prop-2-ynyl)octadec-9-enediamide?
N,N'-bis(prop-2-ynyl)octadec-9-enediamide has a molecular weight of 386.58 g/mol, XLogP of 4.50, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-2-ynyl)octadec-9-enediamide is sourced from PubChem (CID 90949780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).