6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

C20H22N2O3 — CID 113205504

IUPAC6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)Nc3ccc(OC(C)C)cc3)[nH]c2c1
InChIInChI=1S/C20H22N2O3/c1-12(2)25-15-7-5-14(6-8-15)21-20(23)19-13(3)17-10-9-16(24-4)11-18(17)22-19/h5-12,22H,1-4H3,(H,21,23)
InChIKeyJIMNEFXIIOJBIE-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.52
Rot. Bonds5

About 6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (PubChem CID 113205504) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
PubChem CID113205504
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)Nc3ccc(OC(C)C)cc3)[nH]c2c1
InChIInChI=1S/C20H22N2O3/c1-12(2)25-15-7-5-14(6-8-15)21-20(23)19-13(3)17-10-9-16(24-4)11-18(17)22-19/h5-12,22H,1-4H3,(H,21,23)
InChIKeyJIMNEFXIIOJBIE-UHFFFAOYSA-N
XLogP4.52
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.52
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

3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113205052
N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205511
6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 113205404
N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204938
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205346
6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 113205416
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
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-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (CID 113205504) is 6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is COc1ccc2c(C)c(C(=O)Nc3ccc(OC(C)C)cc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is JIMNEFXIIOJBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12(2)25-15-7-5-14(6-8-15)21-20(23)19-13(3)17-10-9-16(24-4)11-18(17)22-19/h5-12,22H,1-4H3,(H,21,23).
What are the key properties of 6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113205504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).