4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C14H25N3O2 — CID 171091839

IUPAC4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCNC(=O)N1CC(NC2CC2)CC2(CCOCC2)C1
InChIInChI=1S/C14H25N3O2/c1-15-13(18)17-9-12(16-11-2-3-11)8-14(10-17)4-6-19-7-5-14/h11-12,16H,2-10H2,1H3,(H,15,18)
InChIKeyXFCRCGVOLIFCAJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.95
Rot. Bonds2

About 4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 171091839) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID171091839
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCNC(=O)N1CC(NC2CC2)CC2(CCOCC2)C1
InChIInChI=1S/C14H25N3O2/c1-15-13(18)17-9-12(16-11-2-3-11)8-14(10-17)4-6-19-7-5-14/h11-12,16H,2-10H2,1H3,(H,15,18)
InChIKeyXFCRCGVOLIFCAJ-UHFFFAOYSA-N
XLogP0.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 171091839) is 4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is CNC(=O)N1CC(NC2CC2)CC2(CCOCC2)C1.
What is the InChIKey of 4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is XFCRCGVOLIFCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-15-13(18)17-9-12(16-11-2-3-11)8-14(10-17)4-6-19-7-5-14/h11-12,16H,2-10H2,1H3,(H,15,18).
What are the key properties of 4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-methyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 171091839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).