N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide

C20H20N2O3 — CID 127617039

IUPACN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(C(=O)NCc3ccc4c(c3)COC4)cc21
InChIInChI=1S/C20H20N2O3/c1-20(2)16-8-13(5-6-17(16)22-19(20)24)18(23)21-9-12-3-4-14-10-25-11-15(14)7-12/h3-8H,9-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZCGSFGXYMIPDRA-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.88
Rot. Bonds3

About N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide

N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide (PubChem CID 127617039) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide
PubChem CID127617039
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(C(=O)NCc3ccc4c(c3)COC4)cc21
InChIInChI=1S/C20H20N2O3/c1-20(2)16-8-13(5-6-17(16)22-19(20)24)18(23)21-9-12-3-4-14-10-25-11-15(14)7-12/h3-8H,9-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZCGSFGXYMIPDRA-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide (CID 127617039) is N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide is CC1(C)C(=O)Nc2ccc(C(=O)NCc3ccc4c(c3)COC4)cc21.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide?
The InChIKey is ZCGSFGXYMIPDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-20(2)16-8-13(5-6-17(16)22-19(20)24)18(23)21-9-12-3-4-14-10-25-11-15(14)7-12/h3-8H,9-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide?
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide is sourced from PubChem (CID 127617039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).