2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide

C18H20N2O — CID 68947997

IUPAC2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1CCN(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H20N2O/c19-17(21)13-15-11-12-20(16-9-5-2-6-10-16)18(15)14-7-3-1-4-8-14/h1-10,15,18H,11-13H2,(H2,19,21)/t15-,18?/m0/s1
InChIKeyIHNMRQXRWCONRL-BUSXIPJBSA-N
MW280.37 g/mol
LogP3.13
Rot. Bonds4

About 2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide

2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide (PubChem CID 68947997) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide
PubChem CID68947997
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1CCN(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H20N2O/c19-17(21)13-15-11-12-20(16-9-5-2-6-10-16)18(15)14-7-3-1-4-8-14/h1-10,15,18H,11-13H2,(H2,19,21)/t15-,18?/m0/s1
InChIKeyIHNMRQXRWCONRL-BUSXIPJBSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide (CID 68947997) is 2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide is NC(=O)C[C@@H]1CCN(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide?
The InChIKey is IHNMRQXRWCONRL-BUSXIPJBSA-N. The full InChI is InChI=1S/C18H20N2O/c19-17(21)13-15-11-12-20(16-9-5-2-6-10-16)18(15)14-7-3-1-4-8-14/h1-10,15,18H,11-13H2,(H2,19,21)/t15-,18?/m0/s1.
What are the key properties of 2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide?
2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 68947997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).