3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide

C18H18N2O — CID 113204204

IUPAC3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2[nH]c3ccccc3c2C)c1
InChIInChI=1S/C18H18N2O/c1-12-6-5-7-14(10-12)11-19-18(21)17-13(2)15-8-3-4-9-16(15)20-17/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyGREBRLWHQOZKFB-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.71
Rot. Bonds3

About 3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide

3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 113204204) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID113204204
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2[nH]c3ccccc3c2C)c1
InChIInChI=1S/C18H18N2O/c1-12-6-5-7-14(10-12)11-19-18(21)17-13(2)15-8-3-4-9-16(15)20-17/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyGREBRLWHQOZKFB-UHFFFAOYSA-N
XLogP3.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.71
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-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-indole-2-carboxamide
CID 110851797
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide (CID 113204204) is 3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide is Cc1cccc(CNC(=O)c2[nH]c3ccccc3c2C)c1.
What is the InChIKey of 3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is GREBRLWHQOZKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-6-5-7-14(10-12)11-19-18(21)17-13(2)15-8-3-4-9-16(15)20-17/h3-10,20H,11H2,1-2H3,(H,19,21).
What are the key properties of 3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide?
3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 113204204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).