2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide

C₃₃H₃₉N₅O₃ — CID 143912783

About 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide

2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide (PubChem CID 143912783) has the molecular formula C₃₃H₃₉N₅O₃ and a molecular weight of 553.71 g/mol. Its IUPAC name is 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide.

Molecular Properties

• Compound Name: 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide
• PubChem CID: 143912783
• Molecular Formula: C₃₃H₃₉N₅O₃
• Molecular Weight: 553.71 g/mol
• Exact Mass: 553.31
• IUPAC Name: 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide
• SMILES: CC(N)C(=O)NC(Cc1cccc(C#N)c1)C(=O)N1CCCC1.O=CNC1CCc2ccccc21.c1ccccc1
• InChI: InChI=1S/C17H22N4O2.C10H11NO.C6H6/c1-12(19)16(22)20-15(17(23)21-7-2-3-8-21)10-13-5-4-6-14(9-13)11-18;12-7-11-10-6-5-8-3-1-2-4-9(8)10;1-2-4-6-5-3-1/h4-6,9,12,15H,2-3,7-8,10,19H2,1H3,(H,20,22);1-4,7,10H,5-6H2,(H,11,12);1-6H
• InChIKey: ZARGTPPNOVUJRM-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 128.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.71
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide?

The IUPAC name of 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide (CID 143912783) is 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide.

What is the SMILES notation for 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide?

The canonical SMILES for 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide is CC(N)C(=O)NC(Cc1cccc(C#N)c1)C(=O)N1CCCC1.O=CNC1CCc2ccccc21.c1ccccc1.

What is the InChIKey of 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide?

The InChIKey is ZARGTPPNOVUJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.C10H11NO.C6H6/c1-12(19)16(22)20-15(17(23)21-7-2-3-8-21)10-13-5-4-6-14(9-13)11-18;12-7-11-10-6-5-8-3-1-2-4-9(8)10;1-2-4-6-5-3-1/h4-6,9,12,15H,2-3,7-8,10,19H2,1H3,(H,20,22);1-4,7,10H,5-6H2,(H,11,12);1-6H.

What are the key properties of 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide?

2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide has a molecular weight of 553.71 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide is sourced from PubChem (CID 143912783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143912783 — identifiers, structure, computed properties (public domain)

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