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

C20H20N2O3 — CID 113212780

IUPAC1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1cccc(C)c1C)cn2C(C)=O
InChIInChI=1S/C20H20N2O3/c1-12-6-5-7-18(13(12)2)21-20(24)17-11-22(14(3)23)19-9-8-15(25-4)10-16(17)19/h5-11H,1-4H3,(H,21,24)
InChIKeyAHQLNBYVAOLBCM-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.18
Rot. Bonds3

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

1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide (PubChem CID 113212780) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide
PubChem CID113212780
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1cccc(C)c1C)cn2C(C)=O
InChIInChI=1S/C20H20N2O3/c1-12-6-5-7-18(13(12)2)21-20(24)17-11-22(14(3)23)19-9-8-15(25-4)10-16(17)19/h5-11H,1-4H3,(H,21,24)
InChIKeyAHQLNBYVAOLBCM-UHFFFAOYSA-N
XLogP4.18
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
CID 113212789
1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
CID 113212814
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
1-acetyl-5-chloro-N-(2,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212642
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
N-(2,3-dimethylphenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43832057
1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide
CID 113212714
1-acetyl-N-butan-2-yl-5-methoxyindole-3-carboxamide
CID 113212691
1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
CID 113212689
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide (CID 113212780) is 1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)Nc1cccc(C)c1C)cn2C(C)=O.
What is the InChIKey of 1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide?
The InChIKey is AHQLNBYVAOLBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-6-5-7-18(13(12)2)21-20(24)17-11-22(14(3)23)19-9-8-15(25-4)10-16(17)19/h5-11H,1-4H3,(H,21,24).
What are the key properties of 1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide?
1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide is sourced from PubChem (CID 113212780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).