2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C22H28N2O4 — CID 72856749

IUPAC2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(C(=O)c3cccc4cc(C)oc34)C2)CCC1=O
InChIInChI=1S/C22H28N2O4/c1-16-13-17-5-3-6-18(20(17)28-16)21(26)24-10-4-8-22(15-24)9-7-19(25)23(14-22)11-12-27-2/h3,5-6,13H,4,7-12,14-15H2,1-2H3
InChIKeyCAIWHTWUUSODQS-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72856749) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72856749
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(C(=O)c3cccc4cc(C)oc34)C2)CCC1=O
InChIInChI=1S/C22H28N2O4/c1-16-13-17-5-3-6-18(20(17)28-16)21(26)24-10-4-8-22(15-24)9-7-19(25)23(14-22)11-12-27-2/h3,5-6,13H,4,7-12,14-15H2,1-2H3
InChIKeyCAIWHTWUUSODQS-UHFFFAOYSA-N
XLogP3.23
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-8-(2-methylsulfanylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72914540
(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113251
(6S)-8-(5-chloro-2-methylbenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124569
2-(2-methoxyethyl)-8-(2-methyl-1H-pyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70706736
(6R)-8-(2-ethoxypyridine-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97131052
8-[2-(benzotriazol-2-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863454
2-(3-methoxypropyl)-8-(quinoxaline-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70756988
8-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72913831
8-(2-ethoxypyridine-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70757089
(6R)-8-(1-tert-butylpyrrole-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124195
(6S)-2-(2-methoxyethyl)-8-[3-(3-methoxyphenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97124836
(6S)-2-(2-methoxyethyl)-8-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97150198

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72856749) is 2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(C(=O)c3cccc4cc(C)oc34)C2)CCC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is CAIWHTWUUSODQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16-13-17-5-3-6-18(20(17)28-16)21(26)24-10-4-8-22(15-24)9-7-19(25)23(14-22)11-12-27-2/h3,5-6,13H,4,7-12,14-15H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 384.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-(2-methyl-1-benzofuran-7-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72856749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).