1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide

C26H28N2O2 — CID 1379109

IUPAC1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(=O)N(CC)c2ccccc2C)cc1)c1ccccc1C
InChIInChI=1S/C26H28N2O2/c1-5-27(23-13-9-7-11-19(23)3)25(29)21-15-17-22(18-16-21)26(30)28(6-2)24-14-10-8-12-20(24)4/h7-18H,5-6H2,1-4H3
InChIKeyZFUKXWBGKSIMNP-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.64
Rot. Bonds6

About 1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide

1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 1379109) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID1379109
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(=O)N(CC)c2ccccc2C)cc1)c1ccccc1C
InChIInChI=1S/C26H28N2O2/c1-5-27(23-13-9-7-11-19(23)3)25(29)21-15-17-22(18-16-21)26(30)28(6-2)24-14-10-8-12-20(24)4/h7-18H,5-6H2,1-4H3
InChIKeyZFUKXWBGKSIMNP-UHFFFAOYSA-N
XLogP5.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide (CID 1379109) is 1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide is CCN(C(=O)c1ccc(C(=O)N(CC)c2ccccc2C)cc1)c1ccccc1C.
What is the InChIKey of 1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is ZFUKXWBGKSIMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-5-27(23-13-9-7-11-19(23)3)25(29)21-15-17-22(18-16-21)26(30)28(6-2)24-14-10-8-12-20(24)4/h7-18H,5-6H2,1-4H3.
What are the key properties of 1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide?
1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 400.52 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diethyl-1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 1379109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).