8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H24N4O3 — CID 70709591

IUPAC8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1[nH]cnc1C(=O)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2
InChIInChI=1S/C20H24N4O3/c1-15-17(22-14-21-15)18(25)23-11-8-20(9-12-23)13-24(19(26)27-20)10-7-16-5-3-2-4-6-16/h2-6,14H,7-13H2,1H3,(H,21,22)
InChIKeySUYXLWJDTGDBAQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.39
Rot. Bonds4

About 8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70709591) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70709591
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1[nH]cnc1C(=O)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2
InChIInChI=1S/C20H24N4O3/c1-15-17(22-14-21-15)18(25)23-11-8-20(9-12-23)13-24(19(26)27-20)10-7-16-5-3-2-4-6-16/h2-6,14H,7-13H2,1H3,(H,21,22)
InChIKeySUYXLWJDTGDBAQ-UHFFFAOYSA-N
XLogP2.39
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(6-methylpyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729484
8-(2-hydroxybenzoyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70717698
8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70726064
3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70711147
8-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705402
3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70730575
3-[2-oxo-2-[2-oxo-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]imidazolidine-2,4-dione
CID 70746629
3-methyl-9-(5-methyl-1H-imidazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56919336
3-(2-phenylethyl)-9-[3-(1,2,4-triazol-4-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 110076363
(5S)-3-(2-phenylethyl)-7-(6-pyrazol-1-ylpyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125004380
8-(5-methylpyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70736346
3-benzyl-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901855

Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70709591) is 8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1[nH]cnc1C(=O)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2.
What is the InChIKey of 8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SUYXLWJDTGDBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15-17(22-14-21-15)18(25)23-11-8-20(9-12-23)13-24(19(26)27-20)10-7-16-5-3-2-4-6-16/h2-6,14H,7-13H2,1H3,(H,21,22).
What are the key properties of 8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 368.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70709591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).