N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide

C19H18N2O3 — CID 113205511

IUPACN-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)Nc3cccc(C(C)=O)c3)[nH]c2c1
InChIInChI=1S/C19H18N2O3/c1-11-16-8-7-15(24-3)10-17(16)21-18(11)19(23)20-14-6-4-5-13(9-14)12(2)22/h4-10,21H,1-3H3,(H,20,23)
InChIKeyOQJJUSRIGBKIKQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.94
Rot. Bonds4

About N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide

N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide (PubChem CID 113205511) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
PubChem CID113205511
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)Nc3cccc(C(C)=O)c3)[nH]c2c1
InChIInChI=1S/C19H18N2O3/c1-11-16-8-7-15(24-3)10-17(16)21-18(11)19(23)20-14-6-4-5-13(9-14)12(2)22/h4-10,21H,1-3H3,(H,20,23)
InChIKeyOQJJUSRIGBKIKQ-UHFFFAOYSA-N
XLogP3.94
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.94
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

N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide
CID 113205056
N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 110861099
6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113205504
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 113205404
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205346
N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113205052

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide (CID 113205511) is N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide is COc1ccc2c(C)c(C(=O)Nc3cccc(C(C)=O)c3)[nH]c2c1.
What is the InChIKey of N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide?
The InChIKey is OQJJUSRIGBKIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-16-8-7-15(24-3)10-17(16)21-18(11)19(23)20-14-6-4-5-13(9-14)12(2)22/h4-10,21H,1-3H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide?
N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).