N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide

C18H28N2O2 — CID 2931250

IUPACN,N,N',N'-tetrakis(prop-2-enyl)hexanediamide
SMILESC=CCN(CC=C)C(=O)CCCCC(=O)N(CC=C)CC=C
InChIInChI=1S/C18H28N2O2/c1-5-13-19(14-6-2)17(21)11-9-10-12-18(22)20(15-7-3)16-8-4/h5-8H,1-4,9-16H2
InChIKeyIRNWPGCWLKWIIY-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.95
Rot. Bonds13

About N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide

N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide (PubChem CID 2931250) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(prop-2-enyl)hexanediamide
PubChem CID2931250
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN,N,N',N'-tetrakis(prop-2-enyl)hexanediamide
SMILESC=CCN(CC=C)C(=O)CCCCC(=O)N(CC=C)CC=C
InChIInChI=1S/C18H28N2O2/c1-5-13-19(14-6-2)17(21)11-9-10-12-18(22)20(15-7-3)16-8-4/h5-8H,1-4,9-16H2
InChIKeyIRNWPGCWLKWIIY-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide?
The IUPAC name of N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide (CID 2931250) is N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide.
What is the SMILES notation for N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide?
The canonical SMILES for N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide is C=CCN(CC=C)C(=O)CCCCC(=O)N(CC=C)CC=C.
What is the InChIKey of N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide?
The InChIKey is IRNWPGCWLKWIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-13-19(14-6-2)17(21)11-9-10-12-18(22)20(15-7-3)16-8-4/h5-8H,1-4,9-16H2.
What are the key properties of N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide?
N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide has a molecular weight of 304.43 g/mol, XLogP of 2.95, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(prop-2-enyl)hexanediamide is sourced from PubChem (CID 2931250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).