3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide

C20H20N2O3 — CID 138021757

IUPAC3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(C(=O)NC3(c4ccccc4)COC3)cc21
InChIInChI=1S/C20H20N2O3/c1-19(2)15-10-13(8-9-16(15)21-18(19)24)17(23)22-20(11-25-12-20)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyORNNUIWPBBAIGY-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.57
Rot. Bonds3

About 3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide

3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide (PubChem CID 138021757) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide
PubChem CID138021757
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(C(=O)NC3(c4ccccc4)COC3)cc21
InChIInChI=1S/C20H20N2O3/c1-19(2)15-10-13(8-9-16(15)21-18(19)24)17(23)22-20(11-25-12-20)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyORNNUIWPBBAIGY-UHFFFAOYSA-N
XLogP2.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide (CID 138021757) is 3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide is CC1(C)C(=O)Nc2ccc(C(=O)NC3(c4ccccc4)COC3)cc21.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide?
The InChIKey is ORNNUIWPBBAIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-19(2)15-10-13(8-9-16(15)21-18(19)24)17(23)22-20(11-25-12-20)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide?
3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-(3-phenyloxetan-3-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 138021757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).