N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide

C17H32N2O — CID 79491626

IUPACN-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)C1CC12CCNCC2
InChIInChI=1S/C17H32N2O/c1-5-14(6-2)19(12-13(3)4)16(20)15-11-17(15)7-9-18-10-8-17/h13-15,18H,5-12H2,1-4H3
InChIKeyVDXKPQFQCCJGDR-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds6

About N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide

N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 79491626) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID79491626
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)C1CC12CCNCC2
InChIInChI=1S/C17H32N2O/c1-5-14(6-2)19(12-13(3)4)16(20)15-11-17(15)7-9-18-10-8-17/h13-15,18H,5-12H2,1-4H3
InChIKeyVDXKPQFQCCJGDR-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-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-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide (CID 79491626) is N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide is CCC(CC)N(CC(C)C)C(=O)C1CC12CCNCC2.
What is the InChIKey of N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is VDXKPQFQCCJGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-14(6-2)19(12-13(3)4)16(20)15-11-17(15)7-9-18-10-8-17/h13-15,18H,5-12H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide?
N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 79491626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).