N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide

C20H19N3O2 — CID 71702187

IUPACN-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2ccc3[nH]ccc3c2)cc2ccccc21
InChIInChI=1S/C20H19N3O2/c1-25-11-10-23-18-5-3-2-4-15(18)13-19(23)20(24)22-16-6-7-17-14(12-16)8-9-21-17/h2-9,12-13,21H,10-11H2,1H3,(H,22,24)
InChIKeyCZPUKUWJFFEGFA-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.02
Rot. Bonds5

About N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide

N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide (PubChem CID 71702187) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide
PubChem CID71702187
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2ccc3[nH]ccc3c2)cc2ccccc21
InChIInChI=1S/C20H19N3O2/c1-25-11-10-23-18-5-3-2-4-15(18)13-19(23)20(24)22-16-6-7-17-14(12-16)8-9-21-17/h2-9,12-13,21H,10-11H2,1H3,(H,22,24)
InChIKeyCZPUKUWJFFEGFA-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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Related Compounds

N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71701813
N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide
CID 71754680
3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 56825813
N-(1H-indol-5-yl)-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 51053405
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide
CID 67552525
2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride
CID 120984992
N-(1H-indol-5-yl)-3-methoxybenzamide
CID 110730731
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide
CID 110205630
1-[2-(2-chlorophenoxy)ethyl]-N-(3-oxo-1,2-dihydroisoindol-5-yl)indole-2-carboxamide
CID 154864402
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide (CID 71702187) is N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide is COCCn1c(C(=O)Nc2ccc3[nH]ccc3c2)cc2ccccc21.
What is the InChIKey of N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide?
The InChIKey is CZPUKUWJFFEGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-11-10-23-18-5-3-2-4-15(18)13-19(23)20(24)22-16-6-7-17-14(12-16)8-9-21-17/h2-9,12-13,21H,10-11H2,1H3,(H,22,24).
What are the key properties of N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide?
N-(1H-indol-5-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-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide is sourced from PubChem (CID 71702187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).