2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C21H24N2O5 — CID 113178431

IUPAC2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(C(C)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O5/c1-15(24)23(17-7-8-19-20(13-17)28-12-11-27-19)14-21(25)22-10-9-16-5-3-4-6-18(16)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyCJCVFKSEFYBHOL-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.18
Rot. Bonds7

About 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 113178431) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID113178431
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(C(C)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O5/c1-15(24)23(17-7-8-19-20(13-17)28-12-11-27-19)14-21(25)22-10-9-16-5-3-4-6-18(16)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyCJCVFKSEFYBHOL-UHFFFAOYSA-N
XLogP2.18
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)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

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113178398
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113133005
2-(N-acetyl-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113167302
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113171144
2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113179717
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110771131
3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113165813
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178426

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 113178431) is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CN(C(C)=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is CJCVFKSEFYBHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-15(24)23(17-7-8-19-20(13-17)28-12-11-27-19)14-21(25)22-10-9-16-5-3-4-6-18(16)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 384.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113178431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).