2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide

C20H19N3O — CID 972731

IUPAC2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCc1c(C#N)c2ccccc2n1CC(=O)NCCc1ccccc1
InChIInChI=1S/C20H19N3O/c1-15-18(13-21)17-9-5-6-10-19(17)23(15)14-20(24)22-12-11-16-7-3-2-4-8-16/h2-10H,11-12,14H2,1H3,(H,22,24)
InChIKeyMTEVHBCXPZTLDZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.18
Rot. Bonds5

About 2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide

2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 972731) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID972731
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCc1c(C#N)c2ccccc2n1CC(=O)NCCc1ccccc1
InChIInChI=1S/C20H19N3O/c1-15-18(13-21)17-9-5-6-10-19(17)23(15)14-20(24)22-12-11-16-7-3-2-4-8-16/h2-10H,11-12,14H2,1H3,(H,22,24)
InChIKeyMTEVHBCXPZTLDZ-UHFFFAOYSA-N
XLogP3.18
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide (CID 972731) is 2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide is Cc1c(C#N)c2ccccc2n1CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is MTEVHBCXPZTLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-18(13-21)17-9-5-6-10-19(17)23(15)14-20(24)22-12-11-16-7-3-2-4-8-16/h2-10H,11-12,14H2,1H3,(H,22,24).
What are the key properties of 2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide?
2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-2-methylindol-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 972731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).