3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide

C21H24N2O4 — CID 113133000

IUPAC3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)Cc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O4/c1-16(24)23(18-8-9-19-20(14-18)27-13-12-26-19)11-10-21(25)22(2)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyIXODXHRXSLJQIV-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.86
Rot. Bonds6

About 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide

3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide (PubChem CID 113133000) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide
PubChem CID113133000
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)Cc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O4/c1-16(24)23(18-8-9-19-20(14-18)27-13-12-26-19)11-10-21(25)22(2)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyIXODXHRXSLJQIV-UHFFFAOYSA-N
XLogP2.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113135516
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113178449
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpropanamide
CID 34284353
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
CID 113129400
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113133094
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid
CID 82320415
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenylpropanamide
CID 110752814
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
CID 113133036
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113133087

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide (CID 113133000) is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide is CC(=O)N(CCC(=O)N(C)Cc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide?
The InChIKey is IXODXHRXSLJQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16(24)23(18-8-9-19-20(14-18)27-13-12-26-19)11-10-21(25)22(2)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide?
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide has a molecular weight of 368.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 113133000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).