N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane

C28H48N2O2 — CID 143956023

IUPACN,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane
SMILESC#CCNC(=O)CCCCCCCCC=CCCCCCCCCC(=O)NCC#C.CC
InChIInChI=1S/C26H42N2O2.C2H6/c1-3-23-27-25(29)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-26(30)28-24-4-2;1-2/h1-2,5-6H,7-24H2,(H,27,29)(H,28,30);1-2H3
InChIKeyMNIWFWKRKBJAQP-UHFFFAOYSA-N
MW444.70 g/mol
LogP6.31
Rot. Bonds20

About N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane

N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane (PubChem CID 143956023) has the molecular formula C28H48N2O2 and a molecular weight of 444.70 g/mol. Its IUPAC name is N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane.

Molecular Properties

Compound NameN,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane
PubChem CID143956023
Molecular FormulaC28H48N2O2
Molecular Weight444.70 g/mol
Exact Mass444.37
IUPAC NameN,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane
SMILESC#CCNC(=O)CCCCCCCCC=CCCCCCCCCC(=O)NCC#C.CC
InChIInChI=1S/C26H42N2O2.C2H6/c1-3-23-27-25(29)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-26(30)28-24-4-2;1-2/h1-2,5-6H,7-24H2,(H,27,29)(H,28,30);1-2H3
InChIKeyMNIWFWKRKBJAQP-UHFFFAOYSA-N
XLogP6.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.70
LogP ≤ 56.31
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)octadec-9-enediamide
CID 90949780
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
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(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)icos-10-enediamide;ethane?
The IUPAC name of N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane (CID 143956023) is N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane.
What is the SMILES notation for N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane?
The canonical SMILES for N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane is C#CCNC(=O)CCCCCCCCC=CCCCCCCCCC(=O)NCC#C.CC.
What is the InChIKey of N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane?
The InChIKey is MNIWFWKRKBJAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O2.C2H6/c1-3-23-27-25(29)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-26(30)28-24-4-2;1-2/h1-2,5-6H,7-24H2,(H,27,29)(H,28,30);1-2H3.
What are the key properties of N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane?
N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane has a molecular weight of 444.70 g/mol, XLogP of 6.31, 20 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)icos-10-enediamide;ethane is sourced from PubChem (CID 143956023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).