3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide

C19H22N2O2 — CID 109055991

IUPAC3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-5-10-16(11-13)20-17(22)14-8-6-9-15(12-14)18(23)21-19(2,3)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyUAIAWILHQVNQIB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.78
Rot. Bonds3

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

3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109055991) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109055991
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-5-10-16(11-13)20-17(22)14-8-6-9-15(12-14)18(23)21-19(2,3)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyUAIAWILHQVNQIB-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056065
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
3-[(3-methylphenyl)carbamoyl]benzoyl chloride
CID 101097986
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109056003

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide (CID 109055991) is 3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide is Cc1cccc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of 3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is UAIAWILHQVNQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-7-5-10-16(11-13)20-17(22)14-8-6-9-15(12-14)18(23)21-19(2,3)4/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.78, 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-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).