N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide

C21H26N2O4 — CID 78890966

IUPACN-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)23-20(25)14-7-6-8-16(11-14)22-19(24)13-15-12-17(26-4)9-10-18(15)27-5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyJHPFZLWAVGBMPA-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.41
Rot. Bonds6

About N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide

N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide (PubChem CID 78890966) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide
PubChem CID78890966
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)23-20(25)14-7-6-8-16(11-14)22-19(24)13-15-12-17(26-4)9-10-18(15)27-5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyJHPFZLWAVGBMPA-UHFFFAOYSA-N
XLogP3.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]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

methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate
CID 110766971
N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide
CID 139348151
N-tert-butyl-3-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 9323551
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide
CID 139348508
2-(2,5-dimethoxyphenyl)-N-naphthalen-2-ylacetamide
CID 78804408
N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 78839112
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056037
methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate
CID 17410752
2-[4-[(2,5-dimethoxyphenyl)methylamino]phenyl]-N-(3-methylphenyl)acetamide
CID 42852610
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide (CID 78890966) is N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide is COc1ccc(OC)c(CC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide?
The InChIKey is JHPFZLWAVGBMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)23-20(25)14-7-6-8-16(11-14)22-19(24)13-15-12-17(26-4)9-10-18(15)27-5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide?
N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 78890966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).