N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide

C19H20N2O2 — CID 113204445

IUPACN-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(C)c2ccccc2n1C
InChIInChI=1S/C19H20N2O2/c1-12-9-10-17(23-4)15(11-12)20-19(22)18-13(2)14-7-5-6-8-16(14)21(18)3/h5-11H,1-4H3,(H,20,22)
InChIKeyKDEXTWHLVOCZKK-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.06
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide

N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide (PubChem CID 113204445) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide
PubChem CID113204445
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(C)c2ccccc2n1C
InChIInChI=1S/C19H20N2O2/c1-12-9-10-17(23-4)15(11-12)20-19(22)18-13(2)14-7-5-6-8-16(14)21(18)3/h5-11H,1-4H3,(H,20,22)
InChIKeyKDEXTWHLVOCZKK-UHFFFAOYSA-N
XLogP4.06
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide
CID 55663937
N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204438
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096938
4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
N-(2-methoxy-5-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169702
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
CID 113204328
4-amino-3-ethyl-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 66123745
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
N-(2-methoxy-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 19174112

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide (CID 113204445) is N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide is COc1ccc(C)cc1NC(=O)c1c(C)c2ccccc2n1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide?
The InChIKey is KDEXTWHLVOCZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-9-10-17(23-4)15(11-12)20-19(22)18-13(2)14-7-5-6-8-16(14)21(18)3/h5-11H,1-4H3,(H,20,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide is sourced from PubChem (CID 113204445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).