2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide

C22H27NO4 — CID 86885776

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide
SMILESCC(C)COc1ccc(CNC(=O)C(C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C22H27NO4/c1-15(2)14-27-19-7-4-17(5-8-19)13-23-22(24)16(3)18-6-9-20-21(12-18)26-11-10-25-20/h4-9,12,15-16H,10-11,13-14H2,1-3H3,(H,23,24)
InChIKeyXQBAHCYZJDHJIX-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.91
Rot. Bonds7

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide (PubChem CID 86885776) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide
PubChem CID86885776
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide
SMILESCC(C)COc1ccc(CNC(=O)C(C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C22H27NO4/c1-15(2)14-27-19-7-4-17(5-8-19)13-23-22(24)16(3)18-6-9-20-21(12-18)26-11-10-25-20/h4-9,12,15-16H,10-11,13-14H2,1-3H3,(H,23,24)
InChIKeyXQBAHCYZJDHJIX-UHFFFAOYSA-N
XLogP3.91
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide with MolForge

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 25222516
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83973891
1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,5-dimethylhexyl)propanamide
CID 86892024
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxyethyl]-2-methylpropanamide
CID 18340878
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(methylamino)propanamide
CID 55096613
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanehydrazide
CID 116843838
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 25354189
1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 60547827
1,1,3-tris[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 175674842
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(4-methylphenyl)propyl]propanamide
CID 86887892

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide (CID 86885776) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide is CC(C)COc1ccc(CNC(=O)C(C)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide?
The InChIKey is XQBAHCYZJDHJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-15(2)14-27-19-7-4-17(5-8-19)13-23-22(24)16(3)18-6-9-20-21(12-18)26-11-10-25-20/h4-9,12,15-16H,10-11,13-14H2,1-3H3,(H,23,24).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide has a molecular weight of 369.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 86885776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).