8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H28N2O3 — CID 70708823

IUPAC8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(=O)N1CCC2(CC1)CN(C(C)CCC)C(=O)O2
InChIInChI=1S/C16H28N2O3/c1-4-6-13(3)18-12-16(21-15(18)20)8-10-17(11-9-16)14(19)7-5-2/h13H,4-12H2,1-3H3
InChIKeySUZKDQBYEROHQA-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.79
Rot. Bonds5

About 8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70708823) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70708823
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(=O)N1CCC2(CC1)CN(C(C)CCC)C(=O)O2
InChIInChI=1S/C16H28N2O3/c1-4-6-13(3)18-12-16(21-15(18)20)8-10-17(11-9-16)14(19)7-5-2/h13H,4-12H2,1-3H3
InChIKeySUZKDQBYEROHQA-UHFFFAOYSA-N
XLogP2.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 45260757
3-(3-Methylbutyl)-8-[(1-methylcyclopropyl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70717076
1-Boc-4-(pyrrolidinocarbonyl)piperidine
CID 22741783
3-[2-(Dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70706745
3-(2-Ethylbutyl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70725296
2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-8-yl)-N,N-dimethylacetamide
CID 70753295
8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95897366
3-Ethyl-8-methyl-1-oxa-3,8-diaza-spiro[4.5]decane-2,4-dione; hydrochloride
CID 14956860
3-Chloro-8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
CID 46202014
8-(2-Fluoroethyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 153503803
3-tert-Butyl-8-methyl-1-oxa-3,8-diaza-spiro[4.5]decane-2,4-dione; hydrochloride
CID 14956861
3,8-Dimethyl-1-oxa-3,8-diaza-spiro[4.5]decane-2,4-dione; hydrochloride
CID 14956866

Frequently Asked Questions

What is the IUPAC name of 8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70708823) is 8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(=O)N1CCC2(CC1)CN(C(C)CCC)C(=O)O2.
What is the InChIKey of 8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SUZKDQBYEROHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-6-13(3)18-12-16(21-15(18)20)8-10-17(11-9-16)14(19)7-5-2/h13H,4-12H2,1-3H3.
What are the key properties of 8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 296.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butanoyl-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70708823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).