1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide

C22H20N2O2 — CID 56642426

IUPAC1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C22H20N2O2/c1-26-13-12-24-15-20(19-8-4-5-9-21(19)24)22(25)23-18-11-10-16-6-2-3-7-17(16)14-18/h2-11,14-15H,12-13H2,1H3,(H,23,25)
InChIKeyIGSRZAQANYOPFV-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.69
Rot. Bonds5

About 1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide

1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide (PubChem CID 56642426) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide
PubChem CID56642426
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C22H20N2O2/c1-26-13-12-24-15-20(19-8-4-5-9-21(19)24)22(25)23-18-11-10-16-6-2-3-7-17(16)14-18/h2-11,14-15H,12-13H2,1H3,(H,23,25)
InChIKeyIGSRZAQANYOPFV-UHFFFAOYSA-N
XLogP4.69
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide (CID 56642426) is 1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide is COCCn1cc(C(=O)Nc2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide?
The InChIKey is IGSRZAQANYOPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-13-12-24-15-20(19-8-4-5-9-21(19)24)22(25)23-18-11-10-16-6-2-3-7-17(16)14-18/h2-11,14-15H,12-13H2,1H3,(H,23,25).
What are the key properties of 1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide?
1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-naphthalen-2-ylindole-3-carboxamide is sourced from PubChem (CID 56642426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).