N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide

C16H22N2O4 — CID 2919134

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NCC1COc2ccccc2O1
InChIInChI=1S/C16H22N2O4/c19-16(5-6-18-7-9-20-10-8-18)17-11-13-12-21-14-3-1-2-4-15(14)22-13/h1-4,13H,5-12H2,(H,17,19)
InChIKeyQYWMZEWUJPUDIM-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.66
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide (PubChem CID 2919134) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide
PubChem CID2919134
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NCC1COc2ccccc2O1
InChIInChI=1S/C16H22N2O4/c19-16(5-6-18-7-9-20-10-8-18)17-11-13-12-21-14-3-1-2-4-15(14)22-13/h1-4,13H,5-12H2,(H,17,19)
InChIKeyQYWMZEWUJPUDIM-UHFFFAOYSA-N
XLogP0.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Viloxazine
CID 5666
Viloxazine Hydrochloride
CID 71424
Piperoxan
CID 6040
N-1,4-Benzodioxane-2-carbonyl piperazine
CID 2735449
Butamoxan
CID 20504
Mdl 72832
CID 182585
Tocris-0412
CID 6604720
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]imidazolidin-2-one
CID 138621509
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 138621544
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621554
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
CID 138621689
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-5-methylimidazolidin-2-one
CID 138622090

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide (CID 2919134) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide?
The InChIKey is QYWMZEWUJPUDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-16(5-6-18-7-9-20-10-8-18)17-11-13-12-21-14-3-1-2-4-15(14)22-13/h1-4,13H,5-12H2,(H,17,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide has a molecular weight of 306.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 2919134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).