4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide

C26H26N2O5 — CID 46286319

IUPAC4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide
SMILESCOc1ccc(CC(Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C26H26N2O5/c1-17(29)27-21-8-6-20(7-9-21)26(30)28-22(13-18-3-10-23(31-2)11-4-18)14-19-5-12-24-25(15-19)33-16-32-24/h3-12,15,22H,13-14,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUBDXGYSPCDMDEZ-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.97
Rot. Bonds8

About 4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide

4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide (PubChem CID 46286319) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide
PubChem CID46286319
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide
SMILESCOc1ccc(CC(Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C26H26N2O5/c1-17(29)27-21-8-6-20(7-9-21)26(30)28-22(13-18-3-10-23(31-2)11-4-18)14-19-5-12-24-25(15-19)33-16-32-24/h3-12,15,22H,13-14,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUBDXGYSPCDMDEZ-UHFFFAOYSA-N
XLogP3.97
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]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-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide
CID 92865420
N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide
CID 92865458
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(dimethylamino)benzamide
CID 46286295
1-[1,3-bis(1,3-benzodioxol-5-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 46286241
N-[(2S)-1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]-4-methylbenzamide
CID 92865487
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
CID 46286311
1-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46286139
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-oxochromene-3-carboxamide
CID 20930276
1-[(2S)-1-(1,3-benzodioxol-5-yl)-3-phenylpropan-2-yl]-3-(4-ethoxyphenyl)urea
CID 92865359
methyl 2-[[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]carbamoylamino]benzoate
CID 92865236
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide
CID 4037055
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-phenylsulfanylacetamide
CID 46286318

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide?
The IUPAC name of 4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide (CID 46286319) is 4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide is COc1ccc(CC(Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide?
The InChIKey is UBDXGYSPCDMDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-17(29)27-21-8-6-20(7-9-21)26(30)28-22(13-18-3-10-23(31-2)11-4-18)14-19-5-12-24-25(15-19)33-16-32-24/h3-12,15,22H,13-14,16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide?
4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide has a molecular weight of 446.50 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 46286319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).