2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide

C16H21N3O3 — CID 120669178

IUPAC2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CC(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C16H21N3O3/c1-9(2)19-13(20)8-12(16(19)22)18-15(21)14(17)11-6-4-10(3)5-7-11/h4-7,9,12,14H,8,17H2,1-3H3,(H,18,21)
InChIKeyPPKIAWBTOSHLBQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.65
Rot. Bonds4

About 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide

2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide (PubChem CID 120669178) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
PubChem CID120669178
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CC(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C16H21N3O3/c1-9(2)19-13(20)8-12(16(19)22)18-15(21)14(17)11-6-4-10(3)5-7-11/h4-7,9,12,14H,8,17H2,1-3H3,(H,18,21)
InChIKeyPPKIAWBTOSHLBQ-UHFFFAOYSA-N
XLogP0.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 120668837
(2R)-N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-thiophen-3-ylpropanamide
CID 98343599
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
CID 120796324
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796323
2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668914
2-amino-2-(4-methylphenyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 120668477
1-(3,5-dimethylphenyl)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 154737230
N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 98218270
4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 122145655
(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 83194716
2-amino-N-(4-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668364
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 120668675

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide (CID 120669178) is 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NC2CC(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is PPKIAWBTOSHLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-9(2)19-13(20)8-12(16(19)22)18-15(21)14(17)11-6-4-10(3)5-7-11/h4-7,9,12,14H,8,17H2,1-3H3,(H,18,21).
What are the key properties of 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide?
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120669178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).