N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide

C20H19N3O2 — CID 59430709

IUPACN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide
SMILESCCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H19N3O2/c1-4-23-19-11-16(25-3)9-10-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyCLEPNUAAGAYSEA-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.17
Rot. Bonds4

About N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide (PubChem CID 59430709) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide
PubChem CID59430709
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide
SMILESCCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H19N3O2/c1-4-23-19-11-16(25-3)9-10-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyCLEPNUAAGAYSEA-UHFFFAOYSA-N
XLogP4.17
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide (CID 59430709) is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide is CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide?
The InChIKey is CLEPNUAAGAYSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-4-23-19-11-16(25-3)9-10-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24/h5-11H,4H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide?
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide is sourced from PubChem (CID 59430709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).