2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C25H33N3O5 — CID 42858013

IUPAC2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(CCN1CCOCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C25H33N3O5/c1-30-22-5-3-2-4-21(22)8-9-26-25(29)18-28(11-10-27-12-14-31-15-13-27)17-20-6-7-23-24(16-20)33-19-32-23/h2-7,16H,8-15,17-19H2,1H3,(H,26,29)
InChIKeyFUAGORWJTUPQIO-UHFFFAOYSA-N
MW455.56 g/mol
LogP1.92
Rot. Bonds11

About 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 42858013) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID42858013
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(CCN1CCOCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C25H33N3O5/c1-30-22-5-3-2-4-21(22)8-9-26-25(29)18-28(11-10-27-12-14-31-15-13-27)17-20-6-7-23-24(16-20)33-19-32-23/h2-7,16H,8-15,17-19H2,1H3,(H,26,29)
InChIKeyFUAGORWJTUPQIO-UHFFFAOYSA-N
XLogP1.92
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]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

1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42723901
2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide
CID 42851103
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113164494
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42724305
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973605
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178431
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)ethanamine;oxalic acid
CID 17367665
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 37097170
1-[2-(2-methoxyphenyl)ethyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48567496
[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 42851016
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 42725267

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 42858013) is 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CN(CCN1CCOCC1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is FUAGORWJTUPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-30-22-5-3-2-4-21(22)8-9-26-25(29)18-28(11-10-27-12-14-31-15-13-27)17-20-6-7-23-24(16-20)33-19-32-23/h2-7,16H,8-15,17-19H2,1H3,(H,26,29).
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 455.56 g/mol, XLogP of 1.92, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 42858013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).