2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide

C26H22N4O3 — CID 41002856

IUPAC2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H22N4O3/c27-21(31)14-28-22(32)15-30-25(17-10-4-5-11-18(17)26(30)33)23-19-12-6-7-13-20(19)29-24(23)16-8-2-1-3-9-16/h1-13,25,29H,14-15H2,(H2,27,31)(H,28,32)/t25-/m1/s1
InChIKeyOBQWTTXBVRNCDO-RUZDIDTESA-N
MW438.49 g/mol
LogP2.98
Rot. Bonds6

About 2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide

2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide (PubChem CID 41002856) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide
PubChem CID41002856
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H22N4O3/c27-21(31)14-28-22(32)15-30-25(17-10-4-5-11-18(17)26(30)33)23-19-12-6-7-13-20(19)29-24(23)16-8-2-1-3-9-16/h1-13,25,29H,14-15H2,(H2,27,31)(H,28,32)/t25-/m1/s1
InChIKeyOBQWTTXBVRNCDO-RUZDIDTESA-N
XLogP2.98
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide (CID 41002856) is 2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide is NC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide?
The InChIKey is OBQWTTXBVRNCDO-RUZDIDTESA-N. The full InChI is InChI=1S/C26H22N4O3/c27-21(31)14-28-22(32)15-30-25(17-10-4-5-11-18(17)26(30)33)23-19-12-6-7-13-20(19)29-24(23)16-8-2-1-3-9-16/h1-13,25,29H,14-15H2,(H2,27,31)(H,28,32)/t25-/m1/s1.
What are the key properties of 2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide?
2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide has a molecular weight of 438.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 41002856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).