2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide

C26H28N2O2 — CID 67628352

IUPAC2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide
SMILESCCN(CC)C(=O)c1c(C(=O)NC)ccc(-c2ccccc2-c2ccccc2)c1C
InChIInChI=1S/C26H28N2O2/c1-5-28(6-2)26(30)24-18(3)20(16-17-23(24)25(29)27-4)22-15-11-10-14-21(22)19-12-8-7-9-13-19/h7-17H,5-6H2,1-4H3,(H,27,29)
InChIKeyUPRRJJJEVSURHO-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.17
Rot. Bonds6

About 2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide

2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide (PubChem CID 67628352) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide
PubChem CID67628352
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide
SMILESCCN(CC)C(=O)c1c(C(=O)NC)ccc(-c2ccccc2-c2ccccc2)c1C
InChIInChI=1S/C26H28N2O2/c1-5-28(6-2)26(30)24-18(3)20(16-17-23(24)25(29)27-4)22-15-11-10-14-21(22)19-12-8-7-9-13-19/h7-17H,5-6H2,1-4H3,(H,27,29)
InChIKeyUPRRJJJEVSURHO-UHFFFAOYSA-N
XLogP5.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide?
The IUPAC name of 2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide (CID 67628352) is 2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide is CCN(CC)C(=O)c1c(C(=O)NC)ccc(-c2ccccc2-c2ccccc2)c1C.
What is the InChIKey of 2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide?
The InChIKey is UPRRJJJEVSURHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-5-28(6-2)26(30)24-18(3)20(16-17-23(24)25(29)27-4)22-15-11-10-14-21(22)19-12-8-7-9-13-19/h7-17H,5-6H2,1-4H3,(H,27,29).
What are the key properties of 2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide?
2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide has a molecular weight of 400.52 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N,3-dimethyl-4-(2-phenylphenyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 67628352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).