N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide

C20H19N3O2 — CID 71701813

IUPACN-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2ccccc21
InChIInChI=1S/C20H19N3O2/c1-25-11-10-23-18-5-3-2-4-15(18)12-19(23)20(24)22-16-7-6-14-8-9-21-17(14)13-16/h2-9,12-13,21H,10-11H2,1H3,(H,22,24)
InChIKeyVAHDAMGJBBYSBD-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.02
Rot. Bonds5

About N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide

N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide (PubChem CID 71701813) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide
PubChem CID71701813
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2ccccc21
InChIInChI=1S/C20H19N3O2/c1-25-11-10-23-18-5-3-2-4-15(18)12-19(23)20(24)22-16-7-6-14-8-9-21-17(14)13-16/h2-9,12-13,21H,10-11H2,1H3,(H,22,24)
InChIKeyVAHDAMGJBBYSBD-UHFFFAOYSA-N
XLogP4.02
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide?
The IUPAC name of N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide (CID 71701813) is N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide.
What is the SMILES notation for N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide?
The canonical SMILES for N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide is COCCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2ccccc21.
What is the InChIKey of N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide?
The InChIKey is VAHDAMGJBBYSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-11-10-23-18-5-3-2-4-15(18)12-19(23)20(24)22-16-7-6-14-8-9-21-17(14)13-16/h2-9,12-13,21H,10-11H2,1H3,(H,22,24).
What are the key properties of N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide?
N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide is sourced from PubChem (CID 71701813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).