1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide

C26H28N2O2 — CID 1005063

IUPAC1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CC)Cc2ccccc2)cc1
InChIInChI=1S/C26H28N2O2/c1-3-27(19-21-11-7-5-8-12-21)25(29)23-15-17-24(18-16-23)26(30)28(4-2)20-22-13-9-6-10-14-22/h5-18H,3-4,19-20H2,1-2H3
InChIKeyXKIKZWDVZRCXHB-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.01
Rot. Bonds8

About 1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide

1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide (PubChem CID 1005063) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide
PubChem CID1005063
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CC)Cc2ccccc2)cc1
InChIInChI=1S/C26H28N2O2/c1-3-27(19-21-11-7-5-8-12-21)25(29)23-15-17-24(18-16-23)26(30)28(4-2)20-22-13-9-6-10-14-22/h5-18H,3-4,19-20H2,1-2H3
InChIKeyXKIKZWDVZRCXHB-UHFFFAOYSA-N
XLogP5.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide (CID 1005063) is 1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CC)Cc2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide?
The InChIKey is XKIKZWDVZRCXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-27(19-21-11-7-5-8-12-21)25(29)23-15-17-24(18-16-23)26(30)28(4-2)20-22-13-9-6-10-14-22/h5-18H,3-4,19-20H2,1-2H3.
What are the key properties of 1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide?
1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide has a molecular weight of 400.52 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dibenzyl-1-N,4-N-diethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 1005063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).