N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide

C18H18N2O2 — CID 110700546

IUPACN,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-18(2)14-11-12(9-10-15(14)19-17(18)22)16(21)20(3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22)
InChIKeyACKVJSSDIJNURK-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.19
Rot. Bonds2

About N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide

N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide (PubChem CID 110700546) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide
PubChem CID110700546
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-18(2)14-11-12(9-10-15(14)19-17(18)22)16(21)20(3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22)
InChIKeyACKVJSSDIJNURK-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide?
The IUPAC name of N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide (CID 110700546) is N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide.
What is the SMILES notation for N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide?
The canonical SMILES for N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide is CN(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1.
What is the InChIKey of N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide?
The InChIKey is ACKVJSSDIJNURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(2)14-11-12(9-10-15(14)19-17(18)22)16(21)20(3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22).
What are the key properties of N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide?
N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide is sourced from PubChem (CID 110700546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).