N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide

C13H26N2O — CID 167229303

IUPACN-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NC(C)(C)C)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-10(2)11(15-8-6-7-9-15)12(16)14-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyGMXONMJAZXQRFA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds3

About N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide

N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide (PubChem CID 167229303) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide
PubChem CID167229303
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NC(C)(C)C)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-10(2)11(15-8-6-7-9-15)12(16)14-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyGMXONMJAZXQRFA-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide 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-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide (CID 167229303) is N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide is CC(C)C(C(=O)NC(C)(C)C)N1CCCC1.
What is the InChIKey of N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide?
The InChIKey is GMXONMJAZXQRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)11(15-8-6-7-9-15)12(16)14-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide?
N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 167229303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).