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

C21H24N2O5 — CID 113133005

IUPAC3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(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)10-9-21(25)22-14-16-5-3-4-6-18(16)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyLNKMZAZNENRGKT-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.53
Rot. Bonds7

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

3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 113133005) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID113133005
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(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)10-9-21(25)22-14-16-5-3-4-6-18(16)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyLNKMZAZNENRGKT-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178431
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-methoxypropyl)propanamide
CID 113132984
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113130211
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2584348
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113133087
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113132842
3-(2-methoxyphenyl)-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propanamide
CID 110783484
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
CID 113133036
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 2243415
3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113134686
3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116340

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide (CID 113133005) is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCN(C(C)=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is LNKMZAZNENRGKT-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)10-9-21(25)22-14-16-5-3-4-6-18(16)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 384.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113133005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).