1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone

C20H21NO5 — CID 110369613

IUPAC1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3ccc4c(c3)OCO4)C(C)CO2)cc1
InChIInChI=1S/C20H21NO5/c1-13-11-24-19(14-3-6-16(23-2)7-4-14)10-21(13)20(22)15-5-8-17-18(9-15)26-12-25-17/h3-9,13,19H,10-12H2,1-2H3
InChIKeyFSPJIDRQUIOKAK-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.03
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone

1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 110369613) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
PubChem CID110369613
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3ccc4c(c3)OCO4)C(C)CO2)cc1
InChIInChI=1S/C20H21NO5/c1-13-11-24-19(14-3-6-16(23-2)7-4-14)10-21(13)20(22)15-5-8-17-18(9-15)26-12-25-17/h3-9,13,19H,10-12H2,1-2H3
InChIKeyFSPJIDRQUIOKAK-UHFFFAOYSA-N
XLogP3.03
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327211
(3,5-dimethoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369324
[(3S,4R)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
CID 133111430
[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394905
[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(3-methylphenyl)methanone
CID 110369456
1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
CID 110369629
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
1,3-benzodioxol-5-yl-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980042
(4-fluorophenyl)-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369460
1,3-benzodioxol-5-yl-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110635928
1,3-benzodioxol-5-yl-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 50805950

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone (CID 110369613) is 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone is COc1ccc(C2CN(C(=O)c3ccc4c(c3)OCO4)C(C)CO2)cc1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is FSPJIDRQUIOKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-13-11-24-19(14-3-6-16(23-2)7-4-14)10-21(13)20(22)15-5-8-17-18(9-15)26-12-25-17/h3-9,13,19H,10-12H2,1-2H3.
What are the key properties of 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone?
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 355.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 110369613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).