N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide

C22H23N3O3 — CID 166413728

IUPACN-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)NC2CCN(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-4-20(26)24(3)17-10-8-16(9-11-17)21(27)23-19-12-13-25(22(19)28)18-7-5-6-15(2)14-18/h4-11,14,19H,1,12-13H2,2-3H3,(H,23,27)
InChIKeyFOLRMNQBHVWBMS-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.68
Rot. Bonds5

About N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide

N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide (PubChem CID 166413728) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
PubChem CID166413728
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)NC2CCN(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-4-20(26)24(3)17-10-8-16(9-11-17)21(27)23-19-12-13-25(22(19)28)18-7-5-6-15(2)14-18/h4-11,14,19H,1,12-13H2,2-3H3,(H,23,27)
InChIKeyFOLRMNQBHVWBMS-UHFFFAOYSA-N
XLogP2.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide?
The IUPAC name of N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide (CID 166413728) is N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide.
What is the SMILES notation for N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide?
The canonical SMILES for N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide is C=CC(=O)N(C)c1ccc(C(=O)NC2CCN(c3cccc(C)c3)C2=O)cc1.
What is the InChIKey of N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide?
The InChIKey is FOLRMNQBHVWBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-20(26)24(3)17-10-8-16(9-11-17)21(27)23-19-12-13-25(22(19)28)18-7-5-6-15(2)14-18/h4-11,14,19H,1,12-13H2,2-3H3,(H,23,27).
What are the key properties of N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide?
N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide has a molecular weight of 377.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide is sourced from PubChem (CID 166413728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).