3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

C26H24N6O2 — CID 55676728

IUPAC3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(-n3nnnc3C)c2)cc1
InChIInChI=1S/C26H24N6O2/c1-17-29-30-31-32(17)20-7-5-6-19(16-20)27-25(33)15-14-23-22-8-3-4-9-24(22)28-26(23)18-10-12-21(34-2)13-11-18/h3-13,16,28H,14-15H2,1-2H3,(H,27,33)
InChIKeySJFYDIUZXVWPOB-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.70
Rot. Bonds7

About 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (PubChem CID 55676728) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
PubChem CID55676728
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(-n3nnnc3C)c2)cc1
InChIInChI=1S/C26H24N6O2/c1-17-29-30-31-32(17)20-7-5-6-19(16-20)27-25(33)15-14-23-22-8-3-4-9-24(22)28-26(23)18-10-12-21(34-2)13-11-18/h3-13,16,28H,14-15H2,1-2H3,(H,27,33)
InChIKeySJFYDIUZXVWPOB-UHFFFAOYSA-N
XLogP4.70
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 26689901
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505630
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 27772937
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 27034289
N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 166194187
2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 34433425
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 25492281
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 112798004
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (CID 55676728) is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(-n3nnnc3C)c2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The InChIKey is SJFYDIUZXVWPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-17-29-30-31-32(17)20-7-5-6-19(16-20)27-25(33)15-14-23-22-8-3-4-9-24(22)28-26(23)18-10-12-21(34-2)13-11-18/h3-13,16,28H,14-15H2,1-2H3,(H,27,33).
What are the key properties of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide has a molecular weight of 452.52 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 55676728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).