3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one

C19H36N2O2 — CID 139678878

IUPAC3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one
SMILESCCCCC1(CCCC)NOC2(CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C19H36N2O2/c1-7-9-11-18(12-10-8-2)15(22)19(23-21-18)13-16(3,4)20-17(5,6)14-19/h20-21H,7-14H2,1-6H3
InChIKeyOEEOREOGOIGZDS-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.89
Rot. Bonds6

About 3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one

3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one (PubChem CID 139678878) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one
PubChem CID139678878
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one
SMILESCCCCC1(CCCC)NOC2(CC(C)(C)NC(C)(C)C2)C1=O
InChIInChI=1S/C19H36N2O2/c1-7-9-11-18(12-10-8-2)15(22)19(23-21-18)13-16(3,4)20-17(5,6)14-19/h20-21H,7-14H2,1-6H3
InChIKeyOEEOREOGOIGZDS-UHFFFAOYSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dibutyl-7,7,9,9-tetramethyl-3-(oxiran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 151608784
2,2-diethyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 6454848
14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one
CID 151784181
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
2-ethyl-4-hexyl-2,7,7,9,9-pentamethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 151693263
2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 57199383
2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 150946909
4-butyl-4-methylazetidin-2-one
CID 100957433
6-butyl-1-methyl-2-oxabicyclo[4.1.0]heptan-3-one
CID 15455654
dodecyl 3-(8,8,10,10-tetramethyl-12-oxo-5-oxa-9,13-diazadispiro[3.1.56.24]tridecan-13-yl)propanoate
CID 59520544
tetradecyl 2-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)propanoate
CID 68565645
7,7,9,9-tetramethyl-3-oxo-2,4-dipropyl-1-oxa-4,8-diazaspiro[4.5]decane-2-carboxamide
CID 150354096

Frequently Asked Questions

What is the IUPAC name of 3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one (CID 139678878) is 3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one is CCCCC1(CCCC)NOC2(CC(C)(C)NC(C)(C)C2)C1=O.
What is the InChIKey of 3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one?
The InChIKey is OEEOREOGOIGZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-7-9-11-18(12-10-8-2)15(22)19(23-21-18)13-16(3,4)20-17(5,6)14-19/h20-21H,7-14H2,1-6H3.
What are the key properties of 3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one?
3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one has a molecular weight of 324.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibutyl-7,7,9,9-tetramethyl-1-oxa-2,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 139678878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).