N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide

C20H19N3O — CID 46591179

IUPACN-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2[nH]c(C)c(CC(=O)NCc3ccc(C#N)cc3)c2c1
InChIInChI=1S/C20H19N3O/c1-13-3-8-19-18(9-13)17(14(2)23-19)10-20(24)22-12-16-6-4-15(11-21)5-7-16/h3-9,23H,10,12H2,1-2H3,(H,22,24)
InChIKeyTXAXDGBAVCGDSE-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.52
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide

N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide (PubChem CID 46591179) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
PubChem CID46591179
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2[nH]c(C)c(CC(=O)NCc3ccc(C#N)cc3)c2c1
InChIInChI=1S/C20H19N3O/c1-13-3-8-19-18(9-13)17(14(2)23-19)10-20(24)22-12-16-6-4-15(11-21)5-7-16/h3-9,23H,10,12H2,1-2H3,(H,22,24)
InChIKeyTXAXDGBAVCGDSE-UHFFFAOYSA-N
XLogP3.52
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464817
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]acetamide
CID 46443208
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31908743
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905462
N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide
CID 134035263
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 49353824
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide (CID 46591179) is N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide is Cc1ccc2[nH]c(C)c(CC(=O)NCc3ccc(C#N)cc3)c2c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide?
The InChIKey is TXAXDGBAVCGDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-3-8-19-18(9-13)17(14(2)23-19)10-20(24)22-12-16-6-4-15(11-21)5-7-16/h3-9,23H,10,12H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide?
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 46591179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).