2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide

C19H20N2O3 — CID 111798598

IUPAC2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(CO)C1
InChIInChI=1S/C19H20N2O3/c22-13-14-10-11-21(12-14)19(24)18(23)20-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,22H,10-13H2,(H,20,23)
InChIKeyKILBVNOOWXXVIJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.13
Rot. Bonds3

About 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide (PubChem CID 111798598) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide
PubChem CID111798598
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(CO)C1
InChIInChI=1S/C19H20N2O3/c22-13-14-10-11-21(12-14)19(24)18(23)20-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,22H,10-13H2,(H,20,23)
InChIKeyKILBVNOOWXXVIJ-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
N-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798594
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798569
N-(4-bromophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 47345433
N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 111797796
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320
N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901737
3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 111475189
N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108507023
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111798574
N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 69100099

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide (CID 111798598) is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide is O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide?
The InChIKey is KILBVNOOWXXVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-13-14-10-11-21(12-14)19(24)18(23)20-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,22H,10-13H2,(H,20,23).
What are the key properties of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide?
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 111798598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).