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

C18H18N2O2 — CID 113206529

IUPAC6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccccc3C)c[nH]c2c1
InChIInChI=1S/C18H18N2O2/c1-12-5-3-4-6-13(12)10-20-18(21)16-11-19-17-9-14(22-2)7-8-15(16)17/h3-9,11,19H,10H2,1-2H3,(H,20,21)
InChIKeyNEMIUDVDJMMWBD-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.41
Rot. Bonds4

About 6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide

6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide (PubChem CID 113206529) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
PubChem CID113206529
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccccc3C)c[nH]c2c1
InChIInChI=1S/C18H18N2O2/c1-12-5-3-4-6-13(12)10-20-18(21)16-11-19-17-9-14(22-2)7-8-15(16)17/h3-9,11,19H,10H2,1-2H3,(H,20,21)
InChIKeyNEMIUDVDJMMWBD-UHFFFAOYSA-N
XLogP3.41
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
5-methoxy-N-[(2-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205982
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206727
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 113206366
N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206671
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide (CID 113206529) is 6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide is COc1ccc2c(C(=O)NCc3ccccc3C)c[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is NEMIUDVDJMMWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-5-3-4-6-13(12)10-20-18(21)16-11-19-17-9-14(22-2)7-8-15(16)17/h3-9,11,19H,10H2,1-2H3,(H,20,21).
What are the key properties of 6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide?
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 113206529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).