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

C19H23NO2 — CID 847793

IUPAC4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C19H23NO2/c1-13-12-16(22-5)10-11-17(13)20-18(21)14-6-8-15(9-7-14)19(2,3)4/h6-12H,1-5H3,(H,20,21)
InChIKeyNBLJNACFEIFUPH-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.55
Rot. Bonds3

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

4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide (PubChem CID 847793) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
PubChem CID847793
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C19H23NO2/c1-13-12-16(22-5)10-11-17(13)20-18(21)14-6-8-15(9-7-14)19(2,3)4/h6-12H,1-5H3,(H,20,21)
InChIKeyNBLJNACFEIFUPH-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 107075184
6-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 63978415
5-iodo-N-(4-methoxy-2-methylphenyl)thiophene-3-carboxamide
CID 78948835
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide
CID 22478761
5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 10645629
N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 62873180
N-(4-methoxy-2-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717918
2-amino-N-(4-methoxy-2-methylphenyl)-2-phenylpropanamide
CID 62870992
2-amino-6-chloro-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 62872287
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide (CID 847793) is 4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide is COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of 4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide?
The InChIKey is NBLJNACFEIFUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-12-16(22-5)10-11-17(13)20-18(21)14-6-8-15(9-7-14)19(2,3)4/h6-12H,1-5H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide?
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide has a molecular weight of 297.40 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide is sourced from PubChem (CID 847793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).