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

C18H21NO2 — CID 667622

IUPAC4-tert-butyl-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-11-9-13(10-12-14)17(20)19-15-7-5-6-8-16(15)21-4/h5-12H,1-4H3,(H,19,20)
InChIKeyUKBCLRHOKUDYEY-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.24
Rot. Bonds3

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

4-tert-butyl-N-(2-methoxyphenyl)benzamide (PubChem CID 667622) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methoxyphenyl)benzamide
PubChem CID667622
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-tert-butyl-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-11-9-13(10-12-14)17(20)19-15-7-5-6-8-16(15)21-4/h5-12H,1-4H3,(H,19,20)
InChIKeyUKBCLRHOKUDYEY-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-(2-methoxyphenyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-methoxyphenyl)benzamide (CID 667622) is 4-tert-butyl-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-methoxyphenyl)benzamide?
The InChIKey is UKBCLRHOKUDYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)14-11-9-13(10-12-14)17(20)19-15-7-5-6-8-16(15)21-4/h5-12H,1-4H3,(H,19,20).
What are the key properties of 4-tert-butyl-N-(2-methoxyphenyl)benzamide?
4-tert-butyl-N-(2-methoxyphenyl)benzamide has a molecular weight of 283.37 g/mol, XLogP of 4.24, 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-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 667622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).