3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide

C25H31NO6 — CID 11282147

IUPAC3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1c(-c2ccccc2CCOC2CCCCO2)cc2c(c1OC)OCO2
InChIInChI=1S/C25H31NO6/c1-26-22(27)11-10-19-20(15-21-25(24(19)28-2)32-16-31-21)18-8-4-3-7-17(18)12-14-30-23-9-5-6-13-29-23/h3-4,7-8,15,23H,5-6,9-14,16H2,1-2H3,(H,26,27)
InChIKeyUPKAOLNGAZSSTG-UHFFFAOYSA-N
MW441.52 g/mol
LogP3.86
Rot. Bonds9

About 3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide

3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide (PubChem CID 11282147) has the molecular formula C25H31NO6 and a molecular weight of 441.52 g/mol. Its IUPAC name is 3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide
PubChem CID11282147
Molecular FormulaC25H31NO6
Molecular Weight441.52 g/mol
Exact Mass441.22
IUPAC Name3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1c(-c2ccccc2CCOC2CCCCO2)cc2c(c1OC)OCO2
InChIInChI=1S/C25H31NO6/c1-26-22(27)11-10-19-20(15-21-25(24(19)28-2)32-16-31-21)18-8-4-3-7-17(18)12-14-30-23-9-5-6-13-29-23/h3-4,7-8,15,23H,5-6,9-14,16H2,1-2H3,(H,26,27)
InChIKeyUPKAOLNGAZSSTG-UHFFFAOYSA-N
XLogP3.86
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(E)-2-(cyclohexylamino)ethenyl]-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-4-ol
CID 11190496
[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid
CID 23152918
methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate
CID 10452492
carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane
CID 123777573
methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate
CID 86757618
3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide
CID 125419741
CID 87419221
CID 87419221
2-[2-(4-bromo-2-chloro-5-methoxyphenyl)ethoxy]oxane
CID 162682281
methyl 15-[[2-(oxan-2-yloxymethyl)phenyl]methoxymethoxy]pentadecanoate
CID 11191384
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
methyl 3-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]prop-2-enoate
CID 72616107

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide (CID 11282147) is 3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide is CNC(=O)CCc1c(-c2ccccc2CCOC2CCCCO2)cc2c(c1OC)OCO2.
What is the InChIKey of 3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide?
The InChIKey is UPKAOLNGAZSSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO6/c1-26-22(27)11-10-19-20(15-21-25(24(19)28-2)32-16-31-21)18-8-4-3-7-17(18)12-14-30-23-9-5-6-13-29-23/h3-4,7-8,15,23H,5-6,9-14,16H2,1-2H3,(H,26,27).
What are the key properties of 3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide?
3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide has a molecular weight of 441.52 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 11282147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).