3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide

C19H20N2O — CID 84578399

IUPAC3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2C)cc1
InChIInChI=1S/C19H20N2O/c1-12-4-7-15(8-5-12)11-20-19(22)18-14(3)16-10-13(2)6-9-17(16)21-18/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyMNBAQLAIDLJTAU-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.02
Rot. Bonds3

About 3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide

3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 84578399) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID84578399
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2C)cc1
InChIInChI=1S/C19H20N2O/c1-12-4-7-15(8-5-12)11-20-19(22)18-14(3)16-10-13(2)6-9-17(16)21-18/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyMNBAQLAIDLJTAU-UHFFFAOYSA-N
XLogP4.02
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 113204204
3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide
CID 70730395
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578480
N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578289
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204704
3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide
CID 71916340
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578341
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-indole-2-carboxamide
CID 110851797
N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204989

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide (CID 84578399) is 3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide is Cc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2C)cc1.
What is the InChIKey of 3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is MNBAQLAIDLJTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-12-4-7-15(8-5-12)11-20-19(22)18-14(3)16-10-13(2)6-9-17(16)21-18/h4-10,21H,11H2,1-3H3,(H,20,22).
What are the key properties of 3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 84578399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).