1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide

C24H24N2O2 — CID 984612

IUPAC1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)N(CC)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-3-25(21-14-7-5-8-15-21)23(27)19-12-11-13-20(18-19)24(28)26(4-2)22-16-9-6-10-17-22/h5-18H,3-4H2,1-2H3
InChIKeyXAOUTZSLDUFREL-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.02
Rot. Bonds6

About 1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide

1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide (PubChem CID 984612) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
PubChem CID984612
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)N(CC)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-3-25(21-14-7-5-8-15-21)23(27)19-12-11-13-20(18-19)24(28)26(4-2)22-16-9-6-10-17-22/h5-18H,3-4H2,1-2H3
InChIKeyXAOUTZSLDUFREL-UHFFFAOYSA-N
XLogP5.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide (CID 984612) is 1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide is CCN(C(=O)c1cccc(C(=O)N(CC)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The InChIKey is XAOUTZSLDUFREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-3-25(21-14-7-5-8-15-21)23(27)19-12-11-13-20(18-19)24(28)26(4-2)22-16-9-6-10-17-22/h5-18H,3-4H2,1-2H3.
What are the key properties of 1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide has a molecular weight of 372.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 984612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).