2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one

C21H31NO2 — CID 164639715

IUPAC2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESCC(C)C(=O)N1CC2(CCCCC2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C21H31NO2/c1-17(2)20(23)22-16-21(11-7-4-8-12-21)13-19(22)15-24-14-18-9-5-3-6-10-18/h3,5-6,9-10,17,19H,4,7-8,11-16H2,1-2H3/t19-/m1/s1
InChIKeyNZMHEBOFVZZJMO-LJQANCHMSA-N
MW329.48 g/mol
LogP4.41
Rot. Bonds5

About 2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one

2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 164639715) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one
PubChem CID164639715
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESCC(C)C(=O)N1CC2(CCCCC2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C21H31NO2/c1-17(2)20(23)22-16-21(11-7-4-8-12-21)13-19(22)15-24-14-18-9-5-3-6-10-18/h3,5-6,9-10,17,19H,4,7-8,11-16H2,1-2H3/t19-/m1/s1
InChIKeyNZMHEBOFVZZJMO-LJQANCHMSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one with MolForge

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Related Compounds

(3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide
CID 164630999
benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 171372709
methyl 2-[6-[(2R)-2-(4-hydroxyphenoxy)propanoyl]-6-azaspiro[3.4]octan-7-yl]acetate
CID 166296448
(2R)-1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]-2-methylpent-4-en-1-one
CID 14788306
[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 168976217
1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one
CID 10022740
3-methyl-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10755729
3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid
CID 69005272
(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
CID 155211250
2-(1-hydroxycyclohexyl)-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanone
CID 111540560
benzyl 2-(methoxymethyl)-4,4-diphenylpyrrolidine-1-carboxylate
CID 46945317
(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
CID 10869250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one (CID 164639715) is 2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one is CC(C)C(=O)N1CC2(CCCCC2)C[C@@H]1COCc1ccccc1.
What is the InChIKey of 2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The InChIKey is NZMHEBOFVZZJMO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31NO2/c1-17(2)20(23)22-16-21(11-7-4-8-12-21)13-19(22)15-24-14-18-9-5-3-6-10-18/h3,5-6,9-10,17,19H,4,7-8,11-16H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one?
2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 329.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 164639715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).