N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide

C18H18N2O3 — CID 4587719

IUPACN-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)c(OC)c1
InChIInChI=1S/C18H18N2O3/c1-11-4-6-14-12(8-11)9-16(19-14)18(21)20-15-7-5-13(22-2)10-17(15)23-3/h4-10,19H,1-3H3,(H,20,21)
InChIKeyFGVXVAIWFPQPFK-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.75
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide

N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide (PubChem CID 4587719) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide
PubChem CID4587719
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)c(OC)c1
InChIInChI=1S/C18H18N2O3/c1-11-4-6-14-12(8-11)9-16(19-14)18(21)20-15-7-5-13(22-2)10-17(15)23-3/h4-10,19H,1-3H3,(H,20,21)
InChIKeyFGVXVAIWFPQPFK-UHFFFAOYSA-N
XLogP3.75
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate
CID 160532757
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
N-(2-fluoro-4-iodophenyl)-5-methoxy-1H-indole-2-carboxamide
CID 2742913
N-(2,4-dimethoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 2039755
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
CID 113207257
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766220

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide (CID 4587719) is N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide is COc1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide?
The InChIKey is FGVXVAIWFPQPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-4-6-14-12(8-11)9-16(19-14)18(21)20-15-7-5-13(22-2)10-17(15)23-3/h4-10,19H,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide?
N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 4587719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).