4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C19H28N2O3 — CID 91917957

IUPAC4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOC1CCOC2(CCN(C(=O)NCc3ccc(C)cc3)CC2)C1
InChIInChI=1S/C19H28N2O3/c1-15-3-5-16(6-4-15)14-20-18(22)21-10-8-19(9-11-21)13-17(23-2)7-12-24-19/h3-6,17H,7-14H2,1-2H3,(H,20,22)
InChIKeyHPKFGUALZUPSAQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.86
Rot. Bonds3

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

4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91917957) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91917957
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOC1CCOC2(CCN(C(=O)NCc3ccc(C)cc3)CC2)C1
InChIInChI=1S/C19H28N2O3/c1-15-3-5-16(6-4-15)14-20-18(22)21-10-8-19(9-11-21)13-17(23-2)7-12-24-19/h3-6,17H,7-14H2,1-2H3,(H,20,22)
InChIKeyHPKFGUALZUPSAQ-UHFFFAOYSA-N
XLogP2.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91917957) is 4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is COC1CCOC2(CCN(C(=O)NCc3ccc(C)cc3)CC2)C1.
What is the InChIKey of 4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is HPKFGUALZUPSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-3-5-16(6-4-15)14-20-18(22)21-10-8-19(9-11-21)13-17(23-2)7-12-24-19/h3-6,17H,7-14H2,1-2H3,(H,20,22).
What are the key properties of 4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91917957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).