N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C13H25N3O2 — CID 97396375

IUPACN-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)CNC(=O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C13H25N3O2/c1-11(2)9-15-12(17)16-7-8-18-13(10-16)3-5-14-6-4-13/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyOVLNGKZBPMEOHV-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.81
Rot. Bonds2

About N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 97396375) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID97396375
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)CNC(=O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C13H25N3O2/c1-11(2)9-15-12(17)16-7-8-18-13(10-16)3-5-14-6-4-13/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyOVLNGKZBPMEOHV-UHFFFAOYSA-N
XLogP0.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 97396375) is N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is CC(C)CNC(=O)N1CCOC2(CCNCC2)C1.
What is the InChIKey of N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is OVLNGKZBPMEOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2)9-15-12(17)16-7-8-18-13(10-16)3-5-14-6-4-13/h11,14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 97396375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).