N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C16H29N3O3 — CID 91919079

IUPACN-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)CC(N1CCOCC1)CCO2
InChIInChI=1S/C16H29N3O3/c1-2-17-15(20)19-6-4-16(5-7-19)13-14(3-10-22-16)18-8-11-21-12-9-18/h14H,2-13H2,1H3,(H,17,20)
InChIKeyTYZHONFFPNGWDW-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.06
Rot. Bonds2

About N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91919079) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91919079
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)CC(N1CCOCC1)CCO2
InChIInChI=1S/C16H29N3O3/c1-2-17-15(20)19-6-4-16(5-7-19)13-14(3-10-22-16)18-8-11-21-12-9-18/h14H,2-13H2,1H3,(H,17,20)
InChIKeyTYZHONFFPNGWDW-UHFFFAOYSA-N
XLogP1.06
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-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-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91919079) is N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is CCNC(=O)N1CCC2(CC1)CC(N1CCOCC1)CCO2.
What is the InChIKey of N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is TYZHONFFPNGWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-2-17-15(20)19-6-4-16(5-7-19)13-14(3-10-22-16)18-8-11-21-12-9-18/h14H,2-13H2,1H3,(H,17,20).
What are the key properties of N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91919079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).