4-tert-butyl-N-(2-methylphenyl)benzamide

C36H42N2O2 — CID 139185103

IUPAC4-tert-butyl-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1.Cc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/2C18H21NO/c2*1-13-7-5-6-8-16(13)19-17(20)14-9-11-15(12-10-14)18(2,3)4/h2*5-12H,1-4H3,(H,19,20)
InChIKeyCLQLDFPQVUXRBW-UHFFFAOYSA-N
MW534.74 g/mol
LogP9.09
Rot. Bonds4

About 4-tert-butyl-N-(2-methylphenyl)benzamide

4-tert-butyl-N-(2-methylphenyl)benzamide (PubChem CID 139185103) has the molecular formula C36H42N2O2 and a molecular weight of 534.74 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methylphenyl)benzamide
PubChem CID139185103
Molecular FormulaC36H42N2O2
Molecular Weight534.74 g/mol
Exact Mass534.32
IUPAC Name4-tert-butyl-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1.Cc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/2C18H21NO/c2*1-13-7-5-6-8-16(13)19-17(20)14-9-11-15(12-10-14)18(2,3)4/h2*5-12H,1-4H3,(H,19,20)
InChIKeyCLQLDFPQVUXRBW-UHFFFAOYSA-N
XLogP9.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.74
LogP ≤ 59.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
CID 21352752
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265301
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509
4-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298246
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-methylphenyl)benzamide (CID 139185103) is 4-tert-butyl-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1.Cc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-methylphenyl)benzamide?
The InChIKey is CLQLDFPQVUXRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H21NO/c2*1-13-7-5-6-8-16(13)19-17(20)14-9-11-15(12-10-14)18(2,3)4/h2*5-12H,1-4H3,(H,19,20).
What are the key properties of 4-tert-butyl-N-(2-methylphenyl)benzamide?
4-tert-butyl-N-(2-methylphenyl)benzamide has a molecular weight of 534.74 g/mol, XLogP of 9.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 139185103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).