N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide

C23H27NO6 — CID 175642322

IUPACN-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)NC2CCC(Oc3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C23H27NO6/c1-26-18-7-9-20(27-2)15(11-18)12-23(25)24-16-3-5-17(6-4-16)30-19-8-10-21-22(13-19)29-14-28-21/h7-11,13,16-17H,3-6,12,14H2,1-2H3,(H,24,25)
InChIKeyFIHDXUHXKQHNDL-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.48
Rot. Bonds7

About N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide

N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide (PubChem CID 175642322) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide
PubChem CID175642322
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC NameN-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)NC2CCC(Oc3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C23H27NO6/c1-26-18-7-9-20(27-2)15(11-18)12-23(25)24-16-3-5-17(6-4-16)30-19-8-10-21-22(13-19)29-14-28-21/h7-11,13,16-17H,3-6,12,14H2,1-2H3,(H,24,25)
InChIKeyFIHDXUHXKQHNDL-UHFFFAOYSA-N
XLogP3.48
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide 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-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-(4-aminocyclohexyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119476462
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide
CID 176500485
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
1-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-3-[(3-fluorophenyl)methyl]urea
CID 175643754
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 176505408
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 146380030
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097
4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230134
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 133132214
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide (CID 175642322) is N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(CC(=O)NC2CCC(Oc3ccc4c(c3)OCO4)CC2)c1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is FIHDXUHXKQHNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO6/c1-26-18-7-9-20(27-2)15(11-18)12-23(25)24-16-3-5-17(6-4-16)30-19-8-10-21-22(13-19)29-14-28-21/h7-11,13,16-17H,3-6,12,14H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide?
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 413.47 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 175642322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).