N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide

C20H26N4O2 — CID 91822697

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
SMILESCc1n[nH]c(C)c1CNC(=O)COc1cccc2c1ccn2CC(C)C
InChIInChI=1S/C20H26N4O2/c1-13(2)11-24-9-8-16-18(24)6-5-7-19(16)26-12-20(25)21-10-17-14(3)22-23-15(17)4/h5-9,13H,10-12H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyZPDKOQBTBHOSIJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.33
Rot. Bonds7

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide (PubChem CID 91822697) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
PubChem CID91822697
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
SMILESCc1n[nH]c(C)c1CNC(=O)COc1cccc2c1ccn2CC(C)C
InChIInChI=1S/C20H26N4O2/c1-13(2)11-24-9-8-16-18(24)6-5-7-19(16)26-12-20(25)21-10-17-14(3)22-23-15(17)4/h5-9,13H,10-12H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyZPDKOQBTBHOSIJ-UHFFFAOYSA-N
XLogP3.33
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
CID 91822129
2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 47000292
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110444644
2-(1-propan-2-ylindol-4-yl)oxy-N-(pyridin-2-ylmethyl)acetamide
CID 91822099
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110731059
2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 91822510
2-(4-ethoxyindol-1-yl)-N-ethylacetamide
CID 83173518
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 110443001
2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 91823188
4-ethoxy-1-(2-methylbutyl)indole
CID 83173509
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide (CID 91822697) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide is Cc1n[nH]c(C)c1CNC(=O)COc1cccc2c1ccn2CC(C)C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide?
The InChIKey is ZPDKOQBTBHOSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(2)11-24-9-8-16-18(24)6-5-7-19(16)26-12-20(25)21-10-17-14(3)22-23-15(17)4/h5-9,13H,10-12H2,1-4H3,(H,21,25)(H,22,23).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide has a molecular weight of 354.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide is sourced from PubChem (CID 91822697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).