4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C19H28N2O3 — CID 91907692

IUPAC4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOC1CCOC2(CCN(C(=O)NCCc3ccccc3)CC2)C1
InChIInChI=1S/C19H28N2O3/c1-23-17-8-14-24-19(15-17)9-12-21(13-10-19)18(22)20-11-7-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3,(H,20,22)
InChIKeyAWUYVLAUXHPEHY-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.60
Rot. Bonds4

About 4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91907692) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91907692
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOC1CCOC2(CCN(C(=O)NCCc3ccccc3)CC2)C1
InChIInChI=1S/C19H28N2O3/c1-23-17-8-14-24-19(15-17)9-12-21(13-10-19)18(22)20-11-7-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3,(H,20,22)
InChIKeyAWUYVLAUXHPEHY-UHFFFAOYSA-N
XLogP2.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91907692) is 4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is COC1CCOC2(CCN(C(=O)NCCc3ccccc3)CC2)C1.
What is the InChIKey of 4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is AWUYVLAUXHPEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-17-8-14-24-19(15-17)9-12-21(13-10-19)18(22)20-11-7-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3,(H,20,22).
What are the key properties of 4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91907692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).