2,2-diphenyl-4-pyrrolidin-1-ylbutanamide

C20H24N2O — CID 24845375

IUPAC2,2-diphenyl-4-pyrrolidin-1-ylbutanamide
SMILESNC(=O)C(CCN1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c21-19(23)20(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-22-14-7-8-15-22/h1-6,9-12H,7-8,13-16H2,(H2,21,23)
InChIKeyVXWAVUPGQYWEGT-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.94
Rot. Bonds6

About 2,2-diphenyl-4-pyrrolidin-1-ylbutanamide

2,2-diphenyl-4-pyrrolidin-1-ylbutanamide (PubChem CID 24845375) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2,2-diphenyl-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name2,2-diphenyl-4-pyrrolidin-1-ylbutanamide
PubChem CID24845375
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2,2-diphenyl-4-pyrrolidin-1-ylbutanamide
SMILESNC(=O)C(CCN1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c21-19(23)20(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-22-14-7-8-15-22/h1-6,9-12H,7-8,13-16H2,(H2,21,23)
InChIKeyVXWAVUPGQYWEGT-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of 2,2-diphenyl-4-pyrrolidin-1-ylbutanamide (CID 24845375) is 2,2-diphenyl-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for 2,2-diphenyl-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for 2,2-diphenyl-4-pyrrolidin-1-ylbutanamide is NC(=O)C(CCN1CCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-4-pyrrolidin-1-ylbutanamide?
The InChIKey is VXWAVUPGQYWEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c21-19(23)20(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-22-14-7-8-15-22/h1-6,9-12H,7-8,13-16H2,(H2,21,23).
What are the key properties of 2,2-diphenyl-4-pyrrolidin-1-ylbutanamide?
2,2-diphenyl-4-pyrrolidin-1-ylbutanamide has a molecular weight of 308.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 24845375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).