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

C17H24N2O4 — CID 7354162

IUPAC(4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCCOc1ccccc1NN1C(=O)OC2(CCCCC2)[C@@]1(C)O
InChIInChI=1S/C17H24N2O4/c1-3-22-14-10-6-5-9-13(14)18-19-15(20)23-17(16(19,2)21)11-7-4-8-12-17/h5-6,9-10,18,21H,3-4,7-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeySWEJOZIEYSTNFJ-MRXNPFEDSA-N
MW320.39 g/mol
LogP3.28
Rot. Bonds4

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

(4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 7354162) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID7354162
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCCOc1ccccc1NN1C(=O)OC2(CCCCC2)[C@@]1(C)O
InChIInChI=1S/C17H24N2O4/c1-3-22-14-10-6-5-9-13(14)18-19-15(20)23-17(16(19,2)21)11-7-4-8-12-17/h5-6,9-10,18,21H,3-4,7-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeySWEJOZIEYSTNFJ-MRXNPFEDSA-N
XLogP3.28
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 7354163
3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 5305843
(4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 7355951
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 31616843
1-[(2-ethoxyanilino)methyl]cyclobutan-1-ol
CID 131701664
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332
N-(2-ethoxyphenyl)-3-propylpiperidine-3-carboxamide
CID 63132468
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
(2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95058483
CID 51425332
CID 51425332
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of (4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 7354162) is (4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for (4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is CCOc1ccccc1NN1C(=O)OC2(CCCCC2)[C@@]1(C)O.
What is the InChIKey of (4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is SWEJOZIEYSTNFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-22-14-10-6-5-9-13(14)18-19-15(20)23-17(16(19,2)21)11-7-4-8-12-17/h5-6,9-10,18,21H,3-4,7-8,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
(4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 7354162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).