5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide

C20H23N3O2 — CID 120632566

IUPAC5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
SMILESCCN(C(=O)c1cc(N)ccc1C)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H23N3O2/c1-3-22(19(24)17-13-15(21)10-9-14(17)2)18-11-12-23(20(18)25)16-7-5-4-6-8-16/h4-10,13,18H,3,11-12,21H2,1-2H3
InChIKeyTZIDEHGNUCBZIT-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.84
Rot. Bonds4

About 5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide

5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide (PubChem CID 120632566) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
PubChem CID120632566
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
SMILESCCN(C(=O)c1cc(N)ccc1C)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H23N3O2/c1-3-22(19(24)17-13-15(21)10-9-14(17)2)18-11-12-23(20(18)25)16-7-5-4-6-8-16/h4-10,13,18H,3,11-12,21H2,1-2H3
InChIKeyTZIDEHGNUCBZIT-UHFFFAOYSA-N
XLogP2.84
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The IUPAC name of 5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide (CID 120632566) is 5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide is CCN(C(=O)c1cc(N)ccc1C)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The InChIKey is TZIDEHGNUCBZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-22(19(24)17-13-15(21)10-9-14(17)2)18-11-12-23(20(18)25)16-7-5-4-6-8-16/h4-10,13,18H,3,11-12,21H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide?
5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 120632566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).