3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C20H24N2O4 — CID 155506647

IUPAC3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCCN1CC2(CCN(C(=O)c3cc4ccccc4o3)CC2)OCCC1=O
InChIInChI=1S/C20H24N2O4/c1-2-21-14-20(25-12-7-18(21)23)8-10-22(11-9-20)19(24)17-13-15-5-3-4-6-16(15)26-17/h3-6,13H,2,7-12,14H2,1H3
InChIKeyMMCSVAICEZXJGW-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.68
Rot. Bonds2

About 3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 155506647) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID155506647
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCCN1CC2(CCN(C(=O)c3cc4ccccc4o3)CC2)OCCC1=O
InChIInChI=1S/C20H24N2O4/c1-2-21-14-20(25-12-7-18(21)23)8-10-22(11-9-20)19(24)17-13-15-5-3-4-6-16(15)26-17/h3-6,13H,2,7-12,14H2,1H3
InChIKeyMMCSVAICEZXJGW-UHFFFAOYSA-N
XLogP2.68
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one with MolForge

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Related Compounds

ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155502645
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155502362
11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155497544
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-(1-benzofuran-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56886314
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284243

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 155506647) is 3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is CCN1CC2(CCN(C(=O)c3cc4ccccc4o3)CC2)OCCC1=O.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is MMCSVAICEZXJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-21-14-20(25-12-7-18(21)23)8-10-22(11-9-20)19(24)17-13-15-5-3-4-6-16(15)26-17/h3-6,13H,2,7-12,14H2,1H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 356.42 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 155506647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).