(2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide

C19H26N2O3 — CID 166418385

IUPAC(2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide
SMILESC[C@@H]1O[C@H]1C(=O)NC1CN(Cc2ccccc2)C2(CCOCC2)C1
InChIInChI=1S/C19H26N2O3/c1-14-17(24-14)18(22)20-16-11-19(7-9-23-10-8-19)21(13-16)12-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,20,22)/t14-,16?,17+/m0/s1
InChIKeyHLIZIPMIHPALGX-DRXWIORDSA-N
MW330.43 g/mol
LogP1.71
Rot. Bonds4

About (2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide

(2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide (PubChem CID 166418385) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide
PubChem CID166418385
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide
SMILESC[C@@H]1O[C@H]1C(=O)NC1CN(Cc2ccccc2)C2(CCOCC2)C1
InChIInChI=1S/C19H26N2O3/c1-14-17(24-14)18(22)20-16-11-19(7-9-23-10-8-19)21(13-16)12-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,20,22)/t14-,16?,17+/m0/s1
InChIKeyHLIZIPMIHPALGX-DRXWIORDSA-N
XLogP1.71
TPSA54.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl (7S)-5-benzyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate
CID 129410416
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CID 124738956
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]oxane-4-carboxamide
CID 124829531
2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid
CID 166288939
4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide
CID 11660454
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 23062043
[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid
CID 129241403
2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
CID 86809326
[4-(aminomethyl)oxan-4-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120941187
N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
CID 167751309
1-benzyl-2,2-dimethylpyrrolidine-3,4-dicarboxylic acid
CID 66936378

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide (CID 166418385) is (2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide is C[C@@H]1O[C@H]1C(=O)NC1CN(Cc2ccccc2)C2(CCOCC2)C1.
What is the InChIKey of (2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide?
The InChIKey is HLIZIPMIHPALGX-DRXWIORDSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-17(24-14)18(22)20-16-11-19(7-9-23-10-8-19)21(13-16)12-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,20,22)/t14-,16?,17+/m0/s1.
What are the key properties of (2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide?
(2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide is sourced from PubChem (CID 166418385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).