1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone

C27H25NO5 — CID 3762309

IUPAC1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2ccccc21)N1CCOC(COc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C27H25NO5/c29-27(14-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24)28-11-12-30-19(15-28)16-31-18-9-10-25-26(13-18)33-17-32-25/h1-10,13,19,24H,11-12,14-17H2
InChIKeyNTFYFEBELASJKR-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.22
Rot. Bonds5

About 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone

1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone (PubChem CID 3762309) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
PubChem CID3762309
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2ccccc21)N1CCOC(COc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C27H25NO5/c29-27(14-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24)28-11-12-30-19(15-28)16-31-18-9-10-25-26(13-18)33-17-32-25/h1-10,13,19,24H,11-12,14-17H2
InChIKeyNTFYFEBELASJKR-UHFFFAOYSA-N
XLogP4.22
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone with MolForge

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Related Compounds

1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
CID 3768585
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
CID 46156758
1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-4-(4-chlorophenoxy)butan-1-one
CID 74229061
1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
CID 3442233
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(6-bromo-2-pyridinyl)methanone
CID 3740897
2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
CID 3770302
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone
CID 4993456
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 92757982
2-(2,6-difluorophenyl)-1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46100170
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone (CID 3762309) is 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone is O=C(CC1c2ccccc2-c2ccccc21)N1CCOC(COc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?
The InChIKey is NTFYFEBELASJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c29-27(14-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24)28-11-12-30-19(15-28)16-31-18-9-10-25-26(13-18)33-17-32-25/h1-10,13,19,24H,11-12,14-17H2.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?
1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone has a molecular weight of 443.50 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone is sourced from PubChem (CID 3762309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).