3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide

C20H24N2O2 — CID 109055998

IUPAC3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)cc1C
InChIInChI=1S/C20H24N2O2/c1-13-9-10-17(11-14(13)2)21-18(23)15-7-6-8-16(12-15)19(24)22-20(3,4)5/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChIKeyGKHFHRZJHROBJN-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.08
Rot. Bonds3

About 3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide

3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109055998) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
PubChem CID109055998
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)cc1C
InChIInChI=1S/C20H24N2O2/c1-13-9-10-17(11-14(13)2)21-18(23)15-7-6-8-16(12-15)19(24)22-20(3,4)5/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChIKeyGKHFHRZJHROBJN-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056065
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109056003
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide (CID 109055998) is 3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide is Cc1ccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)cc1C.
What is the InChIKey of 3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is GKHFHRZJHROBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13-9-10-17(11-14(13)2)21-18(23)15-7-6-8-16(12-15)19(24)22-20(3,4)5/h6-12H,1-5H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide?
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).