2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide

C18H22N4O — CID 46963941

IUPAC2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
SMILESCCn1cc(CC(=O)NCCn2ccc(C)n2)c2ccccc21
InChIInChI=1S/C18H22N4O/c1-3-21-13-15(16-6-4-5-7-17(16)21)12-18(23)19-9-11-22-10-8-14(2)20-22/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,19,23)
InChIKeyPUMBUDVOFFMBCU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.53
Rot. Bonds6

About 2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide

2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide (PubChem CID 46963941) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
PubChem CID46963941
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
SMILESCCn1cc(CC(=O)NCCn2ccc(C)n2)c2ccccc21
InChIInChI=1S/C18H22N4O/c1-3-21-13-15(16-6-4-5-7-17(16)21)12-18(23)19-9-11-22-10-8-14(2)20-22/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,19,23)
InChIKeyPUMBUDVOFFMBCU-UHFFFAOYSA-N
XLogP2.53
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285
2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436011
N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
ethyl 3-[(1-ethylindol-3-yl)methylamino]propanoate
CID 65067184
N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555927
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide
CID 41109158
3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218961
ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate
CID 65072333
N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
CID 46957121
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide (CID 46963941) is 2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide is CCn1cc(CC(=O)NCCn2ccc(C)n2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is PUMBUDVOFFMBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-21-13-15(16-6-4-5-7-17(16)21)12-18(23)19-9-11-22-10-8-14(2)20-22/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,19,23).
What are the key properties of 2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide?
2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 46963941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).