1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide

C17H14N2O4 — CID 515967

IUPAC1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESCOc1cccc(CN2C(=O)C(=O)c3cc(C(N)=O)ccc32)c1
InChIInChI=1S/C17H14N2O4/c1-23-12-4-2-3-10(7-12)9-19-14-6-5-11(16(18)21)8-13(14)15(20)17(19)22/h2-8H,9H2,1H3,(H2,18,21)
InChIKeyKNAQSMYZBPPORE-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.52
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide

1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide (PubChem CID 515967) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
PubChem CID515967
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESCOc1cccc(CN2C(=O)C(=O)c3cc(C(N)=O)ccc32)c1
InChIInChI=1S/C17H14N2O4/c1-23-12-4-2-3-10(7-12)9-19-14-6-5-11(16(18)21)8-13(14)15(20)17(19)22/h2-8H,9H2,1H3,(H2,18,21)
InChIKeyKNAQSMYZBPPORE-UHFFFAOYSA-N
XLogP1.52
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide (CID 515967) is 1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide is COc1cccc(CN2C(=O)C(=O)c3cc(C(N)=O)ccc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The InChIKey is KNAQSMYZBPPORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-23-12-4-2-3-10(7-12)9-19-14-6-5-11(16(18)21)8-13(14)15(20)17(19)22/h2-8H,9H2,1H3,(H2,18,21).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide is sourced from PubChem (CID 515967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).