2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide

C25H22N4O2 — CID 118935246

IUPAC2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESN#Cc1ccc2c(c1)[C@H](N(C(=O)c1ccccc1N)C(C(N)=O)c1ccccc1)CC2
InChIInChI=1S/C25H22N4O2/c26-15-16-10-11-17-12-13-22(20(17)14-16)29(25(31)19-8-4-5-9-21(19)27)23(24(28)30)18-6-2-1-3-7-18/h1-11,14,22-23H,12-13,27H2,(H2,28,30)/t22-,23?/m1/s1
InChIKeyNPUZHLUNUCPEEB-WTQRLHSKSA-N
MW410.48 g/mol
LogP3.50
Rot. Bonds5

About 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide

2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 118935246) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID118935246
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESN#Cc1ccc2c(c1)[C@H](N(C(=O)c1ccccc1N)C(C(N)=O)c1ccccc1)CC2
InChIInChI=1S/C25H22N4O2/c26-15-16-10-11-17-12-13-22(20(17)14-16)29(25(31)19-8-4-5-9-21(19)27)23(24(28)30)18-6-2-1-3-7-18/h1-11,14,22-23H,12-13,27H2,(H2,28,30)/t22-,23?/m1/s1
InChIKeyNPUZHLUNUCPEEB-WTQRLHSKSA-N
XLogP3.50
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide (CID 118935246) is 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide is N#Cc1ccc2c(c1)[C@H](N(C(=O)c1ccccc1N)C(C(N)=O)c1ccccc1)CC2.
What is the InChIKey of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is NPUZHLUNUCPEEB-WTQRLHSKSA-N. The full InChI is InChI=1S/C25H22N4O2/c26-15-16-10-11-17-12-13-22(20(17)14-16)29(25(31)19-8-4-5-9-21(19)27)23(24(28)30)18-6-2-1-3-7-18/h1-11,14,22-23H,12-13,27H2,(H2,28,30)/t22-,23?/m1/s1.
What are the key properties of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide?
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 410.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 118935246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).