3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide

C15H30N2O — CID 55167066

IUPAC3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)(C)CC(C)(C)C)CCNC1
InChIInChI=1S/C15H30N2O/c1-7-15(8-9-16-11-15)12(18)17-14(5,6)10-13(2,3)4/h16H,7-11H2,1-6H3,(H,17,18)
InChIKeyFULYSYAFSJZILI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.71
Rot. Bonds4

About 3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide

3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 55167066) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
PubChem CID55167066
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)(C)CC(C)(C)C)CCNC1
InChIInChI=1S/C15H30N2O/c1-7-15(8-9-16-11-15)12(18)17-14(5,6)10-13(2,3)4/h16H,7-11H2,1-6H3,(H,17,18)
InChIKeyFULYSYAFSJZILI-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-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 3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide (CID 55167066) is 3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide is CCC1(C(=O)NC(C)(C)CC(C)(C)C)CCNC1.
What is the InChIKey of 3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is FULYSYAFSJZILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-7-15(8-9-16-11-15)12(18)17-14(5,6)10-13(2,3)4/h16H,7-11H2,1-6H3,(H,17,18).
What are the key properties of 3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide?
3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55167066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).