(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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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).