4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide

C21H40N2O2 — CID 129233432

IUPAC4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide
SMILESCCC(C)(C)C(=O)N1CCC(CC(C)C(C)(C)C(=O)NCC(C)C)C1
InChIInChI=1S/C21H40N2O2/c1-9-20(5,6)19(25)23-11-10-17(14-23)12-16(4)21(7,8)18(24)22-13-15(2)3/h15-17H,9-14H2,1-8H3,(H,22,24)
InChIKeyPMKWKQNKBLQIIV-UHFFFAOYSA-N
MW352.56 g/mol
LogP4.10
Rot. Bonds8

About 4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide

4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide (PubChem CID 129233432) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide
PubChem CID129233432
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide
SMILESCCC(C)(C)C(=O)N1CCC(CC(C)C(C)(C)C(=O)NCC(C)C)C1
InChIInChI=1S/C21H40N2O2/c1-9-20(5,6)19(25)23-11-10-17(14-23)12-16(4)21(7,8)18(24)22-13-15(2)3/h15-17H,9-14H2,1-8H3,(H,22,24)
InChIKeyPMKWKQNKBLQIIV-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)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 4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide (CID 129233432) is 4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide is CCC(C)(C)C(=O)N1CCC(CC(C)C(C)(C)C(=O)NCC(C)C)C1.
What is the InChIKey of 4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide?
The InChIKey is PMKWKQNKBLQIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2/c1-9-20(5,6)19(25)23-11-10-17(14-23)12-16(4)21(7,8)18(24)22-13-15(2)3/h15-17H,9-14H2,1-8H3,(H,22,24).
What are the key properties of 4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide?
4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide has a molecular weight of 352.56 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylbutanoyl)pyrrolidin-3-yl]-2,2,3-trimethyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 129233432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).