4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C18H34N2O2 — CID 129069856

IUPAC4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(CCCN(CCC(C)C)CC2)OC(C)(C)C1=O
InChIInChI=1S/C18H34N2O2/c1-6-20-14-18(22-17(4,5)16(20)21)9-7-11-19(13-10-18)12-8-15(2)3/h15H,6-14H2,1-5H3
InChIKeyJGQCTHNFZNXQHZ-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.91
Rot. Bonds4

About 4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 129069856) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID129069856
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(CCCN(CCC(C)C)CC2)OC(C)(C)C1=O
InChIInChI=1S/C18H34N2O2/c1-6-20-14-18(22-17(4,5)16(20)21)9-7-11-19(13-10-18)12-8-15(2)3/h15H,6-14H2,1-5H3
InChIKeyJGQCTHNFZNXQHZ-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 137370776
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705
4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561108
(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
CID 129053848
3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707730
(2R)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazacycloundecan-3-one
CID 137390831
8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 137370665
4-ethyl-2,2-dimethyl-9-[2-[2-[(1R)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 139518653
12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 129053879
1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone
CID 167711467
12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride
CID 162315070
4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one
CID 145297741

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 129069856) is 4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is CCN1CC2(CCCN(CCC(C)C)CC2)OC(C)(C)C1=O.
What is the InChIKey of 4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is JGQCTHNFZNXQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-6-20-14-18(22-17(4,5)16(20)21)9-7-11-19(13-10-18)12-8-15(2)3/h15H,6-14H2,1-5H3.
What are the key properties of 4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 310.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 129069856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).