N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide

C14H17N3O4 — CID 71452565

IUPACN-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCC1(O)C(=O)Nc2ccc(NC(C)=O)cc21
InChIInChI=1S/C14H17N3O4/c1-8(18)15-6-5-14(21)11-7-10(16-9(2)19)3-4-12(11)17-13(14)20/h3-4,7,21H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyDUUYNLNBTWGHLM-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.31
Rot. Bonds4

About N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide

N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide (PubChem CID 71452565) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide
PubChem CID71452565
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCC1(O)C(=O)Nc2ccc(NC(C)=O)cc21
InChIInChI=1S/C14H17N3O4/c1-8(18)15-6-5-14(21)11-7-10(16-9(2)19)3-4-12(11)17-13(14)20/h3-4,7,21H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyDUUYNLNBTWGHLM-UHFFFAOYSA-N
XLogP0.31
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide (CID 71452565) is N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide is CC(=O)NCCC1(O)C(=O)Nc2ccc(NC(C)=O)cc21.
What is the InChIKey of N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is DUUYNLNBTWGHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8(18)15-6-5-14(21)11-7-10(16-9(2)19)3-4-12(11)17-13(14)20/h3-4,7,21H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide?
N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 291.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetamido-3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 71452565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).