2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide

C14H16N2O4 — CID 61355287

IUPAC2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESCc1cc(C)c2c(c1)N(CC(=O)NCCO)C(=O)C2=O
InChIInChI=1S/C14H16N2O4/c1-8-5-9(2)12-10(6-8)16(14(20)13(12)19)7-11(18)15-3-4-17/h5-6,17H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyFFSDXYGWEBIPAH-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.06
Rot. Bonds4

About 2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide

2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 61355287) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID61355287
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESCc1cc(C)c2c(c1)N(CC(=O)NCCO)C(=O)C2=O
InChIInChI=1S/C14H16N2O4/c1-8-5-9(2)12-10(6-8)16(14(20)13(12)19)7-11(18)15-3-4-17/h5-6,17H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyFFSDXYGWEBIPAH-UHFFFAOYSA-N
XLogP-0.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide
CID 61355443
1-[2-(chloromethyl)prop-2-enyl]-4,6-dimethylindole-2,3-dione
CID 103065742
4-(4,6-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide
CID 63581497
N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61356119
4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione
CID 61388378
1-(2-hydroxypropyl)-4,6-dimethylindole-2,3-dione
CID 61355445
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione
CID 103072199
hydrazinyl 3-(4,6-dimethyl-2,3-dioxoindol-1-yl)propanoate
CID 66338800
N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide
CID 43509702
N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide
CID 61485569
1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione
CID 61354634
2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 61355309

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide (CID 61355287) is 2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide is Cc1cc(C)c2c(c1)N(CC(=O)NCCO)C(=O)C2=O.
What is the InChIKey of 2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is FFSDXYGWEBIPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-5-9(2)12-10(6-8)16(14(20)13(12)19)7-11(18)15-3-4-17/h5-6,17H,3-4,7H2,1-2H3,(H,15,18).
What are the key properties of 2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide?
2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 276.29 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 61355287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).