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

C26H28N2O2 — CID 67628353

IUPAC2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide
SMILESCCN(CC)C(=O)c1c(C)cccc1C(=O)N(C)c1ccccc1-c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-5-28(6-2)26(30)24-19(3)13-12-17-22(24)25(29)27(4)23-18-11-10-16-21(23)20-14-8-7-9-15-20/h7-18H,5-6H2,1-4H3
InChIKeyPIEVRRYWBPDYJD-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.42
Rot. Bonds6

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

2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide (PubChem CID 67628353) 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-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide
PubChem CID67628353
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide
SMILESCCN(CC)C(=O)c1c(C)cccc1C(=O)N(C)c1ccccc1-c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-5-28(6-2)26(30)24-19(3)13-12-17-22(24)25(29)27(4)23-18-11-10-16-21(23)20-14-8-7-9-15-20/h7-18H,5-6H2,1-4H3
InChIKeyPIEVRRYWBPDYJD-UHFFFAOYSA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 50
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-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide?
The IUPAC name of 2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide (CID 67628353) is 2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide is CCN(CC)C(=O)c1c(C)cccc1C(=O)N(C)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide?
The InChIKey is PIEVRRYWBPDYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-5-28(6-2)26(30)24-19(3)13-12-17-22(24)25(29)27(4)23-18-11-10-16-21(23)20-14-8-7-9-15-20/h7-18H,5-6H2,1-4H3.
What are the key properties of 2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide?
2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide has a molecular weight of 400.52 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 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-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 67628353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).