(4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one

C16H22N2O3 — CID 7347283

IUPAC(4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCc1ccccc1NN1C(=O)OC2(CCCCC2)[C@]1(C)O
InChIInChI=1S/C16H22N2O3/c1-12-8-4-5-9-13(12)17-18-14(19)21-16(15(18,2)20)10-6-3-7-11-16/h4-5,8-9,17,20H,3,6-7,10-11H2,1-2H3/t15-/m0/s1
InChIKeyVZOFKCZPGVPIHR-HNNXBMFYSA-N
MW290.36 g/mol
LogP3.19
Rot. Bonds2

About (4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one

(4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 7347283) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID7347283
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCc1ccccc1NN1C(=O)OC2(CCCCC2)[C@]1(C)O
InChIInChI=1S/C16H22N2O3/c1-12-8-4-5-9-13(12)17-18-14(19)21-16(15(18,2)20)10-6-3-7-11-16/h4-5,8-9,17,20H,3,6-7,10-11H2,1-2H3/t15-/m0/s1
InChIKeyVZOFKCZPGVPIHR-HNNXBMFYSA-N
XLogP3.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 5305843
(4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 7354162
(4S)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 7354163
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methylphenyl)acetamide
CID 2701809
4-[(4S)-4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]butanoic acid
CID 1254843
2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 79848111
2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 104597875
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 81130530
2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide
CID 2942110
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide
CID 10912806
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one (CID 7347283) is (4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one is Cc1ccccc1NN1C(=O)OC2(CCCCC2)[C@]1(C)O.
What is the InChIKey of (4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is VZOFKCZPGVPIHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-8-4-5-9-13(12)17-18-14(19)21-16(15(18,2)20)10-6-3-7-11-16/h4-5,8-9,17,20H,3,6-7,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one?
(4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 290.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 7347283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).