8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H35N3O3 — CID 70724735

IUPAC8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2
InChIInChI=1S/C20H35N3O3/c1-3-7-18(24)22-12-10-20(11-13-22)16-23(19(25)26-20)15-14-21(2)17-8-5-4-6-9-17/h17H,3-16H2,1-2H3
InChIKeyCBWZKAUHWMSCDM-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.86
Rot. Bonds6

About 8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70724735) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70724735
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2
InChIInChI=1S/C20H35N3O3/c1-3-7-18(24)22-12-10-20(11-13-22)16-23(19(25)26-20)15-14-21(2)17-8-5-4-6-9-17/h17H,3-16H2,1-2H3
InChIKeyCBWZKAUHWMSCDM-UHFFFAOYSA-N
XLogP2.86
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

8-Cyclohexyl-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70752778
3-(1-Methylbutyl)-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729080
3-[(2R)-pentan-2-yl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96376731
3-[(2S)-pentan-2-yl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96376733
Tert-butyl 3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 138621595
tert-butyl (3S)-3-(5,5-diethyl-2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 138621597
Tert-butyl 3-cyclohexyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 156461044
Potassium 3-cyclohexyl-8-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 167353265
3-[3-(4-Isopropylpiperazin-1-yl)propyl]-8-[(1-methylcyclopropyl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705966
8-Butyryl-3-[2-(4-isopropylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705985
8-Cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70706305
3-{2-[Cyclohexyl(methyl)amino]ethyl}-8-[(2R)-2-hydroxypropanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70706881

Frequently Asked Questions

What is the IUPAC name of 8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70724735) is 8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2.
What is the InChIKey of 8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CBWZKAUHWMSCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-3-7-18(24)22-12-10-20(11-13-22)16-23(19(25)26-20)15-14-21(2)17-8-5-4-6-9-17/h17H,3-16H2,1-2H3.
What are the key properties of 8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 365.52 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butanoyl-3-[2-[cyclohexyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70724735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).