1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

C22H27N3O5 — CID 78460839

IUPAC1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESO=C(CN1C(=O)N(c2ccccc2)C(=O)C2OC3CCCCC3C21)N1CCOCC1
InChIInChI=1S/C22H27N3O5/c26-18(23-10-12-29-13-11-23)14-24-19-16-8-4-5-9-17(16)30-20(19)21(27)25(22(24)28)15-6-2-1-3-7-15/h1-3,6-7,16-17,19-20H,4-5,8-14H2
InChIKeyRCISUJRJQWTGAU-UHFFFAOYSA-N
MW413.47 g/mol
LogP1.64
Rot. Bonds3

About 1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (PubChem CID 78460839) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
PubChem CID78460839
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESO=C(CN1C(=O)N(c2ccccc2)C(=O)C2OC3CCCCC3C21)N1CCOCC1
InChIInChI=1S/C22H27N3O5/c26-18(23-10-12-29-13-11-23)14-24-19-16-8-4-5-9-17(16)30-20(19)21(27)25(22(24)28)15-6-2-1-3-7-15/h1-3,6-7,16-17,19-20H,4-5,8-14H2
InChIKeyRCISUJRJQWTGAU-UHFFFAOYSA-N
XLogP1.64
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 73328242
2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 73202173
(3R)-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 97317129
2-(2-morpholin-4-yl-2-oxoethyl)-4-phenyl-5-piperidin-4-yl-1,2,4-triazol-3-one
CID 56723253
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid
CID 19087968
3-[(2-morpholin-4-yl-2-oxoethyl)amino]-1-oxo-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile
CID 46837333
2-(2-morpholin-4-yl-2-oxoethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 736241
N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 46120797
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 97015300
(5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 95571346

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (CID 78460839) is 1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is O=C(CN1C(=O)N(c2ccccc2)C(=O)C2OC3CCCCC3C21)N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The InChIKey is RCISUJRJQWTGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c26-18(23-10-12-29-13-11-23)14-24-19-16-8-4-5-9-17(16)30-20(19)21(27)25(22(24)28)15-6-2-1-3-7-15/h1-3,6-7,16-17,19-20H,4-5,8-14H2.
What are the key properties of 1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione has a molecular weight of 413.47 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 78460839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).