N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C13H22N2O4 — CID 47236977

IUPACN-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H22N2O4/c16-12(14-10-11-2-1-7-17-11)15-5-3-13(4-6-15)18-8-9-19-13/h11H,1-10H2,(H,14,16)
InChIKeyDZRGGPHAVKAPFV-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.71
Rot. Bonds2

About N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 47236977) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID47236977
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC NameN-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H22N2O4/c16-12(14-10-11-2-1-7-17-11)15-5-3-13(4-6-15)18-8-9-19-13/h11H,1-10H2,(H,14,16)
InChIKeyDZRGGPHAVKAPFV-UHFFFAOYSA-N
XLogP0.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 47236977) is N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(NCC1CCCO1)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is DZRGGPHAVKAPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-12(14-10-11-2-1-7-17-11)15-5-3-13(4-6-15)18-8-9-19-13/h11H,1-10H2,(H,14,16).
What are the key properties of N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 47236977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).