(6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone

C25H23NO4 — CID 24828424

IUPAC(6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
SMILESCc1cc2c(cc1C(=O)N1CCOCC1)OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C25H23NO4/c1-18-16-22-23(17-21(18)24(27)26-12-14-28-15-13-26)30-25(29-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3
InChIKeySCQIZSIOFTUDQV-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.14
Rot. Bonds3

About (6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone

(6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone (PubChem CID 24828424) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is (6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
PubChem CID24828424
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name(6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
SMILESCc1cc2c(cc1C(=O)N1CCOCC1)OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C25H23NO4/c1-18-16-22-23(17-21(18)24(27)26-12-14-28-15-13-26)30-25(29-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3
InChIKeySCQIZSIOFTUDQV-UHFFFAOYSA-N
XLogP4.14
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone (CID 24828424) is (6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone is Cc1cc2c(cc1C(=O)N1CCOCC1)OC(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of (6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is SCQIZSIOFTUDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-18-16-22-23(17-21(18)24(27)26-12-14-28-15-13-26)30-25(29-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3.
What are the key properties of (6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
(6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 401.46 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 24828424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).