N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide

C19H20N2O3 — CID 45490502

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2ccn3C)cc1OC
InChIInChI=1S/C19H20N2O3/c1-21-10-9-14-15(5-4-6-16(14)21)19(22)20-12-13-7-8-17(23-2)18(11-13)24-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyORDLYULQYROLKN-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.13
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide (PubChem CID 45490502) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
PubChem CID45490502
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2ccn3C)cc1OC
InChIInChI=1S/C19H20N2O3/c1-21-10-9-14-15(5-4-6-16(14)21)19(22)20-12-13-7-8-17(23-2)18(11-13)24-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyORDLYULQYROLKN-UHFFFAOYSA-N
XLogP3.13
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 10570003
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 51108315
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 51143121
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-nitrobenzamide
CID 17070151
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
2-(3,4-dimethoxyphenyl)-N-[(4-pyrrol-1-ylphenyl)methyl]acetamide
CID 5300696
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide (CID 45490502) is N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide is COc1ccc(CNC(=O)c2cccc3c2ccn3C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide?
The InChIKey is ORDLYULQYROLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21-10-9-14-15(5-4-6-16(14)21)19(22)20-12-13-7-8-17(23-2)18(11-13)24-3/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide is sourced from PubChem (CID 45490502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).