1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide

C22H24N2O3 — CID 113212789

IUPAC1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1c(C)cccc1C(C)C)cn2C(C)=O
InChIInChI=1S/C22H24N2O3/c1-13(2)17-8-6-7-14(3)21(17)23-22(26)19-12-24(15(4)25)20-10-9-16(27-5)11-18(19)20/h6-13H,1-5H3,(H,23,26)
InChIKeyDORIYCSIQPMQBI-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.99
Rot. Bonds4

About 1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide

1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide (PubChem CID 113212789) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
PubChem CID113212789
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1c(C)cccc1C(C)C)cn2C(C)=O
InChIInChI=1S/C22H24N2O3/c1-13(2)17-8-6-7-14(3)21(17)23-22(26)19-12-24(15(4)25)20-10-9-16(27-5)11-18(19)20/h6-13H,1-5H3,(H,23,26)
InChIKeyDORIYCSIQPMQBI-UHFFFAOYSA-N
XLogP4.99
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide
CID 113212780
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
2,4-dimethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 844817
1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
CID 113212814
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
1-acetyl-N-butan-2-yl-5-methoxyindole-3-carboxamide
CID 113212691
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
CID 113212689
N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954579
1-acetyl-5-chloro-N-(2,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212642
1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
CID 113212672
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide (CID 113212789) is 1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)Nc1c(C)cccc1C(C)C)cn2C(C)=O.
What is the InChIKey of 1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide?
The InChIKey is DORIYCSIQPMQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-13(2)17-8-6-7-14(3)21(17)23-22(26)19-12-24(15(4)25)20-10-9-16(27-5)11-18(19)20/h6-13H,1-5H3,(H,23,26).
What are the key properties of 1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide?
1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide is sourced from PubChem (CID 113212789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).