N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide

C13H14N2O5 — CID 61356119

IUPACN-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NCCO
InChIInChI=1S/C13H14N2O5/c1-20-8-2-3-10-9(6-8)12(18)13(19)15(10)7-11(17)14-4-5-16/h2-3,6,16H,4-5,7H2,1H3,(H,14,17)
InChIKeyCGEMDCFZNPYOFZ-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.67
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide

N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61356119) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
PubChem CID61356119
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC NameN-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NCCO
InChIInChI=1S/C13H14N2O5/c1-20-8-2-3-10-9(6-8)12(18)13(19)15(10)7-11(17)14-4-5-16/h2-3,6,16H,4-5,7H2,1H3,(H,14,17)
InChIKeyCGEMDCFZNPYOFZ-UHFFFAOYSA-N
XLogP-0.67
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61485568
N-(2-cyanoethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355949
N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355136
2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide
CID 43509702
1-(3,3-dimethyl-2-oxobutyl)-5-methoxyindole-2,3-dione
CID 62023855
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
CID 61355921
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 61486272
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61357088

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide (CID 61356119) is N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide is COc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is CGEMDCFZNPYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-20-8-2-3-10-9(6-8)12(18)13(19)15(10)7-11(17)14-4-5-16/h2-3,6,16H,4-5,7H2,1H3,(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 278.26 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61356119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).