(3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide

C22H34N2O2 — CID 164630999

IUPAC(3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)CNC(=O)N1CC2(CCCCC2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C22H34N2O2/c1-18(2)14-23-21(25)24-17-22(11-7-4-8-12-22)13-20(24)16-26-15-19-9-5-3-6-10-19/h3,5-6,9-10,18,20H,4,7-8,11-17H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeySOJHZHAWDXSXPY-HXUWFJFHSA-N
MW358.53 g/mol
LogP4.59
Rot. Bonds6

About (3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide

(3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 164630999) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID164630999
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name(3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)CNC(=O)N1CC2(CCCCC2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C22H34N2O2/c1-18(2)14-23-21(25)24-17-22(11-7-4-8-12-22)13-20(24)16-26-15-19-9-5-3-6-10-19/h3,5-6,9-10,18,20H,4,7-8,11-17H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeySOJHZHAWDXSXPY-HXUWFJFHSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 164639715
N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide
CID 146227837
3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid
CID 69005272
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
(3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide
CID 122154833
benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 171372709
(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 13339835
[(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
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
3-methyl-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10755729
1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
CID 58601842

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide (CID 164630999) is (3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide is CC(C)CNC(=O)N1CC2(CCCCC2)C[C@@H]1COCc1ccccc1.
What is the InChIKey of (3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is SOJHZHAWDXSXPY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-18(2)14-23-21(25)24-17-22(11-7-4-8-12-22)13-20(24)16-26-15-19-9-5-3-6-10-19/h3,5-6,9-10,18,20H,4,7-8,11-17H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide?
(3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 164630999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).