N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide

C17H16N2O2 — CID 720059

IUPACN-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N2O2/c1-12(20)18-16-14-9-5-6-10-15(14)19(17(16)21)11-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyZXEUGBUFRQITPK-INIZCTEOSA-N
MW280.33 g/mol
LogP2.41
Rot. Bonds3

About N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 720059) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID720059
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N2O2/c1-12(20)18-16-14-9-5-6-10-15(14)19(17(16)21)11-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyZXEUGBUFRQITPK-INIZCTEOSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
CID 2711857
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide
CID 56691002
N-[(3R)-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178325
N-[(3S)-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178326
N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178324
N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide
CID 915465
N-(1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2967336
N-[(3R)-1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 2223279
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
N-[(3R)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942908
N-[(3S)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942909

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide (CID 720059) is N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is ZXEUGBUFRQITPK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(20)18-16-14-9-5-6-10-15(14)19(17(16)21)11-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 720059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).