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

IUPAC2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide
SMILESCC(N)C(=O)NC(Cc1cccc(C#N)c1)C(=O)N1CCCC1.O=CNC1CCc2ccccc21.c1ccccc1
InChIInChI=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
InChIKeyZARGTPPNOVUJRM-UHFFFAOYSA-N
MW553.71 g/mol
LogP3.66
Rot. Bonds7

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 Name2-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 CID143912783
Molecular FormulaC33H39N5O3
Molecular Weight553.71 g/mol
Exact Mass553.31
IUPAC Name2-amino-N-[3-(3-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide;benzene;N-(2,3-dihydro-1H-inden-1-yl)formamide
SMILESCC(N)C(=O)NC(Cc1cccc(C#N)c1)C(=O)N1CCCC1.O=CNC1CCc2ccccc21.c1ccccc1
InChIInChI=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
InChIKeyZARGTPPNOVUJRM-UHFFFAOYSA-N
XLogP3.66
TPSA128.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.71
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).