3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide

C20H22N2O2 — CID 19832370

IUPAC3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide
SMILESCCCN1C(=O)C(C)(C)c2ccc(C(=O)Nc3ccccc3)cc21
InChIInChI=1S/C20H22N2O2/c1-4-12-22-17-13-14(10-11-16(17)20(2,3)19(22)24)18(23)21-15-8-6-5-7-9-15/h5-11,13H,4,12H2,1-3H3,(H,21,23)
InChIKeyRJQBJYWHEOJZLQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.97
Rot. Bonds4

About 3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide

3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide (PubChem CID 19832370) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide
PubChem CID19832370
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide
SMILESCCCN1C(=O)C(C)(C)c2ccc(C(=O)Nc3ccccc3)cc21
InChIInChI=1S/C20H22N2O2/c1-4-12-22-17-13-14(10-11-16(17)20(2,3)19(22)24)18(23)21-15-8-6-5-7-9-15/h5-11,13H,4,12H2,1-3H3,(H,21,23)
InChIKeyRJQBJYWHEOJZLQ-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide (CID 19832370) is 3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide is CCCN1C(=O)C(C)(C)c2ccc(C(=O)Nc3ccccc3)cc21.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide?
The InChIKey is RJQBJYWHEOJZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-12-22-17-13-14(10-11-16(17)20(2,3)19(22)24)18(23)21-15-8-6-5-7-9-15/h5-11,13H,4,12H2,1-3H3,(H,21,23).
What are the key properties of 3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide?
3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-phenyl-1-propylindole-6-carboxamide is sourced from PubChem (CID 19832370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).