N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide

C19H20N2O3 — CID 57261046

IUPACN-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc1
InChIInChI=1S/C19H20N2O3/c1-4-24-14-8-6-13(7-9-14)20-17(22)12-5-10-15-16(11-12)21-18(23)19(15,2)3/h5-11H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVEVFKHFOTJJVLR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.57
Rot. Bonds4

About N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide

N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide (PubChem CID 57261046) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
PubChem CID57261046
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc1
InChIInChI=1S/C19H20N2O3/c1-4-24-14-8-6-13(7-9-14)20-17(22)12-5-10-15-16(11-12)21-18(23)19(15,2)3/h5-11H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVEVFKHFOTJJVLR-UHFFFAOYSA-N
XLogP3.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide (CID 57261046) is N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The InChIKey is VEVFKHFOTJJVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-24-14-8-6-13(7-9-14)20-17(22)12-5-10-15-16(11-12)21-18(23)19(15,2)3/h5-11H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide is sourced from PubChem (CID 57261046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).