[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone

C24H23NO6 — CID 4993456

IUPAC[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone
SMILESCc1oc(-c2ccccc2)cc1C(=O)N1CCOC(COc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C24H23NO6/c1-16-20(12-22(31-16)17-5-3-2-4-6-17)24(26)25-9-10-27-19(13-25)14-28-18-7-8-21-23(11-18)30-15-29-21/h2-8,11-12,19H,9-10,13-15H2,1H3
InChIKeyFJQCCENHZBFZSH-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.90
Rot. Bonds5

About [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone

[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone (PubChem CID 4993456) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone
PubChem CID4993456
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone
SMILESCc1oc(-c2ccccc2)cc1C(=O)N1CCOC(COc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C24H23NO6/c1-16-20(12-22(31-16)17-5-3-2-4-6-17)24(26)25-9-10-27-19(13-25)14-28-18-7-8-21-23(11-18)30-15-29-21/h2-8,11-12,19H,9-10,13-15H2,1H3
InChIKeyFJQCCENHZBFZSH-UHFFFAOYSA-N
XLogP3.90
TPSA70.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
CID 46156758
[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone
CID 3866501
1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
CID 3762309
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(6-bromo-2-pyridinyl)methanone
CID 3740897
1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-4-(4-chlorophenoxy)butan-1-one
CID 74229061
1-[4-[[4-(1H-indole-3-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3840261
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
1-[4-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3807377
(2-fluoro-3-pyridinyl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 5016333
1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
CID 110643907
[2-(bromomethyl)morpholin-4-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 81209568

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone?
The IUPAC name of [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone (CID 4993456) is [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone?
The canonical SMILES for [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone is Cc1oc(-c2ccccc2)cc1C(=O)N1CCOC(COc2ccc3c(c2)OCO3)C1.
What is the InChIKey of [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone?
The InChIKey is FJQCCENHZBFZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-16-20(12-22(31-16)17-5-3-2-4-6-17)24(26)25-9-10-27-19(13-25)14-28-18-7-8-21-23(11-18)30-15-29-21/h2-8,11-12,19H,9-10,13-15H2,1H3.
What are the key properties of [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone?
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone has a molecular weight of 421.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone is sourced from PubChem (CID 4993456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).