N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide

C17H31N3O2 — CID 72874295

IUPACN,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCC(C)CCN1CC2(CCCN(C(=O)N(C)C)C2)CCC1=O
InChIInChI=1S/C17H31N3O2/c1-14(2)7-11-19-12-17(9-6-15(19)21)8-5-10-20(13-17)16(22)18(3)4/h14H,5-13H2,1-4H3
InChIKeyZOJIFVTTWVUREK-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.42
Rot. Bonds3

About N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide

N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 72874295) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID72874295
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCC(C)CCN1CC2(CCCN(C(=O)N(C)C)C2)CCC1=O
InChIInChI=1S/C17H31N3O2/c1-14(2)7-11-19-12-17(9-6-15(19)21)8-5-10-20(13-17)16(22)18(3)4/h14H,5-13H2,1-4H3
InChIKeyZOJIFVTTWVUREK-UHFFFAOYSA-N
XLogP2.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-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,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (CID 72874295) is N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is CC(C)CCN1CC2(CCCN(C(=O)N(C)C)C2)CCC1=O.
What is the InChIKey of N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is ZOJIFVTTWVUREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-14(2)7-11-19-12-17(9-6-15(19)21)8-5-10-20(13-17)16(22)18(3)4/h14H,5-13H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 72874295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).