N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide

C17H34N2O — CID 58849185

IUPACN-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCCCCN(CCCN1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C17H34N2O/c1-5-6-13-19(16(20)15-17(2,3)4)14-9-12-18-10-7-8-11-18/h5-15H2,1-4H3
InChIKeyZSPCALRUQOFZMM-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.54
Rot. Bonds8

About N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide

N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 58849185) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
PubChem CID58849185
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCCCCN(CCCN1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C17H34N2O/c1-5-6-13-19(16(20)15-17(2,3)4)14-9-12-18-10-7-8-11-18/h5-15H2,1-4H3
InChIKeyZSPCALRUQOFZMM-UHFFFAOYSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide 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-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide (CID 58849185) is N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide is CCCCN(CCCN1CCCC1)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is ZSPCALRUQOFZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-6-13-19(16(20)15-17(2,3)4)14-9-12-18-10-7-8-11-18/h5-15H2,1-4H3.
What are the key properties of N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide?
N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 282.47 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 58849185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).