N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide

C19H17N3O2 — CID 113212259

IUPACN-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]c(C)c(CC(=O)Nc3cccc(C#N)c3)c2c1
InChIInChI=1S/C19H17N3O2/c1-12-16(17-9-15(24-2)6-7-18(17)21-12)10-19(23)22-14-5-3-4-13(8-14)11-20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyKAEBJFCUDVIOJK-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.54
Rot. Bonds4

About N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide

N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 113212259) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
PubChem CID113212259
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]c(C)c(CC(=O)Nc3cccc(C#N)c3)c2c1
InChIInChI=1S/C19H17N3O2/c1-12-16(17-9-15(24-2)6-7-18(17)21-12)10-19(23)22-14-5-3-4-13(8-14)11-20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyKAEBJFCUDVIOJK-UHFFFAOYSA-N
XLogP3.54
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.54
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

2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 113212201
methyl 3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212219
N-(3,4-dichlorophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212248
N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212208
N-(2,4-dimethylphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212169
N-(3-cyanophenyl)-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955950
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
N-(3-cyanophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329578
N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
CID 113212058
N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155193
N-(3-cyanophenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51271966

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide (CID 113212259) is N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide is COc1ccc2[nH]c(C)c(CC(=O)Nc3cccc(C#N)c3)c2c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is KAEBJFCUDVIOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-16(17-9-15(24-2)6-7-18(17)21-12)10-19(23)22-14-5-3-4-13(8-14)11-20/h3-9,21H,10H2,1-2H3,(H,22,23).
What are the key properties of N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 113212259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).