ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate

C21H22N2O4 — CID 22012996

IUPACethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate
SMILESCCOC(=O)CC1(NC(C)=O)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-3-27-19(25)13-21(22-15(2)24)17-11-7-8-12-18(17)23(20(21)26)14-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyQKSJLBFIKUBCBA-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.52
Rot. Bonds6

About ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate

ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate (PubChem CID 22012996) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate
PubChem CID22012996
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate
SMILESCCOC(=O)CC1(NC(C)=O)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-3-27-19(25)13-21(22-15(2)24)17-11-7-8-12-18(17)23(20(21)26)14-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyQKSJLBFIKUBCBA-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate?
The IUPAC name of ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate (CID 22012996) is ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate?
The canonical SMILES for ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate is CCOC(=O)CC1(NC(C)=O)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate?
The InChIKey is QKSJLBFIKUBCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-27-19(25)13-21(22-15(2)24)17-11-7-8-12-18(17)23(20(21)26)14-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,22,24).
What are the key properties of ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate?
ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate has a molecular weight of 366.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-acetamido-1-benzyl-2-oxoindol-3-yl)acetate is sourced from PubChem (CID 22012996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).