6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide

C19H20N2O3 — CID 113205411

IUPAC6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2C)cc1
InChIInChI=1S/C19H20N2O3/c1-12-16-9-8-15(24-3)10-17(16)21-18(12)19(22)20-11-13-4-6-14(23-2)7-5-13/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyTXNCTFFWMOJNCD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.42
Rot. Bonds5

About 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide

6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide (PubChem CID 113205411) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
PubChem CID113205411
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2C)cc1
InChIInChI=1S/C19H20N2O3/c1-12-16-9-8-15(24-3)10-17(16)21-18(12)19(22)20-11-13-4-6-14(23-2)7-5-13/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyTXNCTFFWMOJNCD-UHFFFAOYSA-N
XLogP3.42
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 113205416
N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205399
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513808
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513803
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513841
2-(9H-carbazol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 163300249
6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113205504
ethyl 2-(6-methoxy-3-methyl-1H-indol-2-yl)-2-oxoacetate
CID 115072762

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide (CID 113205411) is 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide is COc1ccc(CNC(=O)c2[nH]c3cc(OC)ccc3c2C)cc1.
What is the InChIKey of 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide?
The InChIKey is TXNCTFFWMOJNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-16-9-8-15(24-3)10-17(16)21-18(12)19(22)20-11-13-4-6-14(23-2)7-5-13/h4-10,21H,11H2,1-3H3,(H,20,22).
What are the key properties of 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide?
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).