N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide

C19H20N2O3 — CID 113207316

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-12-4-6-14-10-16(21-15(14)8-12)19(22)20-11-13-5-7-17(23-2)18(9-13)24-3/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyYBVKOFGSEUBVLJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.42
Rot. Bonds5

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

N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 113207316) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID113207316
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-12-4-6-14-10-16(21-15(14)8-12)19(22)20-11-13-5-7-17(23-2)18(9-13)24-3/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyYBVKOFGSEUBVLJ-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

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Related Compounds

6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324558
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207545
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 55953581
N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 55559390
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 89218665
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide (CID 113207316) is N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide is COc1ccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is YBVKOFGSEUBVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-4-6-14-10-16(21-15(14)8-12)19(22)20-11-13-5-7-17(23-2)18(9-13)24-3/h4-10,21H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-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 N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113207316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).