4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide

C20H25NO3 — CID 71822536

IUPAC4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H25NO3/c1-20(2,3)16-9-6-14(7-10-16)19(22)21-13-15-8-11-17(23-4)12-18(15)24-5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyVXKDFYLUSZCZHC-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.93
Rot. Bonds5

About 4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide

4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 71822536) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
PubChem CID71822536
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H25NO3/c1-20(2,3)16-9-6-14(7-10-16)19(22)21-13-15-8-11-17(23-4)12-18(15)24-5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyVXKDFYLUSZCZHC-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide 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

N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762837
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-9-oxofluorene-2-carboxamide
CID 55577076
N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 46586709
N'-(4-tert-butylbenzoyl)-2,4-dimethoxybenzohydrazide
CID 7980035
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide (CID 71822536) is 4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1.
What is the InChIKey of 4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is VXKDFYLUSZCZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,3)16-9-6-14(7-10-16)19(22)21-13-15-8-11-17(23-4)12-18(15)24-5/h6-12H,13H2,1-5H3,(H,21,22).
What are the key properties of 4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 71822536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).