1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide

C20H20N2O5 — CID 113212814

IUPAC1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cn(C(C)=O)c3ccc(OC)cc23)c1
InChIInChI=1S/C20H20N2O5/c1-12(23)22-11-16(15-9-13(25-2)5-7-18(15)22)20(24)21-17-10-14(26-3)6-8-19(17)27-4/h5-11H,1-4H3,(H,21,24)
InChIKeyNJLSTQMJAUKMJX-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.58
Rot. Bonds5

About 1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide

1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide (PubChem CID 113212814) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
PubChem CID113212814
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cn(C(C)=O)c3ccc(OC)cc23)c1
InChIInChI=1S/C20H20N2O5/c1-12(23)22-11-16(15-9-13(25-2)5-7-18(15)22)20(24)21-17-10-14(26-3)6-8-19(17)27-4/h5-11H,1-4H3,(H,21,24)
InChIKeyNJLSTQMJAUKMJX-UHFFFAOYSA-N
XLogP3.58
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-acetyl-5-chloro-N-(2,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212642
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide
CID 113212780
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
CID 113212689
1-acetyl-N-butan-2-yl-5-methoxyindole-3-carboxamide
CID 113212691
1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
CID 113212789
1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461
1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212643
1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
CID 113212988

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide (CID 113212814) is 1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cn(C(C)=O)c3ccc(OC)cc23)c1.
What is the InChIKey of 1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide?
The InChIKey is NJLSTQMJAUKMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12(23)22-11-16(15-9-13(25-2)5-7-18(15)22)20(24)21-17-10-14(26-3)6-8-19(17)27-4/h5-11H,1-4H3,(H,21,24).
What are the key properties of 1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide?
1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide is sourced from PubChem (CID 113212814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).