1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide

C24H36N2O4 — CID 20661105

IUPAC1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide
SMILESCN(CCCCCC1CO1)C(=O)c1ccccc1C(=O)N(C)CCCCCC1CO1
InChIInChI=1S/C24H36N2O4/c1-25(15-9-3-5-11-19-17-29-19)23(27)21-13-7-8-14-22(21)24(28)26(2)16-10-4-6-12-20-18-30-20/h7-8,13-14,19-20H,3-6,9-12,15-18H2,1-2H3
InChIKeyZGAYFDXCUZEPJD-UHFFFAOYSA-N
MW416.56 g/mol
LogP3.75
Rot. Bonds14

About 1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide

1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide (PubChem CID 20661105) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide
PubChem CID20661105
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide
SMILESCN(CCCCCC1CO1)C(=O)c1ccccc1C(=O)N(C)CCCCCC1CO1
InChIInChI=1S/C24H36N2O4/c1-25(15-9-3-5-11-19-17-29-19)23(27)21-13-7-8-14-22(21)24(28)26(2)16-10-4-6-12-20-18-30-20/h7-8,13-14,19-20H,3-6,9-12,15-18H2,1-2H3
InChIKeyZGAYFDXCUZEPJD-UHFFFAOYSA-N
XLogP3.75
TPSA65.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide (CID 20661105) is 1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide is CN(CCCCCC1CO1)C(=O)c1ccccc1C(=O)N(C)CCCCCC1CO1.
What is the InChIKey of 1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide?
The InChIKey is ZGAYFDXCUZEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-25(15-9-3-5-11-19-17-29-19)23(27)21-13-7-8-14-22(21)24(28)26(2)16-10-4-6-12-20-18-30-20/h7-8,13-14,19-20H,3-6,9-12,15-18H2,1-2H3.
What are the key properties of 1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide?
1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide has a molecular weight of 416.56 g/mol, XLogP of 3.75, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-1-N,2-N-bis[5-(oxiran-2-yl)pentyl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 20661105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).