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

C16H22N2O2 — CID 115067498

IUPAC4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCc1ccccc1N1CC2(CCCNCC2)OCC1=O
InChIInChI=1S/C16H22N2O2/c1-13-5-2-3-6-14(13)18-12-16(20-11-15(18)19)7-4-9-17-10-8-16/h2-3,5-6,17H,4,7-12H2,1H3
InChIKeyUIEUFNVXLHYEDS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.87
Rot. Bonds1

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

4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 115067498) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID115067498
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCc1ccccc1N1CC2(CCCNCC2)OCC1=O
InChIInChI=1S/C16H22N2O2/c1-13-5-2-3-6-14(13)18-12-16(20-11-15(18)19)7-4-9-17-10-8-16/h2-3,5-6,17H,4,7-12H2,1H3
InChIKeyUIEUFNVXLHYEDS-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067499
4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 115067456
4-[2-(trifluoromethyl)phenyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 115067452
4-cyclopropyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067488
4-(2-methylpropyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067514
4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 115067460
4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 75531160
1-(2-methylphenyl)-1,4-diazepan-2-one
CID 82282881
4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783323
(6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97399546
4-(2-methylphenyl)-1,4-diazepan-5-one
CID 45096923
9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 115067392

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 115067498) is 4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is Cc1ccccc1N1CC2(CCCNCC2)OCC1=O.
What is the InChIKey of 4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is UIEUFNVXLHYEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-5-2-3-6-14(13)18-12-16(20-11-15(18)19)7-4-9-17-10-8-16/h2-3,5-6,17H,4,7-12H2,1H3.
What are the key properties of 4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 274.36 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 115067498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).