2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide

C21H27N3O3 — CID 126803953

IUPAC2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
SMILESCCn1nc(C)c(CC(=O)NC(C)c2oc3ccc(OC)cc3c2C)c1C
InChIInChI=1S/C21H27N3O3/c1-7-24-15(5)18(13(3)23-24)11-20(25)22-14(4)21-12(2)17-10-16(26-6)8-9-19(17)27-21/h8-10,14H,7,11H2,1-6H3,(H,22,25)
InChIKeyJJGAOIQSTJYTLK-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.00
Rot. Bonds6

About 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide

2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide (PubChem CID 126803953) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
PubChem CID126803953
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
SMILESCCn1nc(C)c(CC(=O)NC(C)c2oc3ccc(OC)cc3c2C)c1C
InChIInChI=1S/C21H27N3O3/c1-7-24-15(5)18(13(3)23-24)11-20(25)22-14(4)21-12(2)17-10-16(26-6)8-9-19(17)27-21/h8-10,14H,7,11H2,1-6H3,(H,22,25)
InChIKeyJJGAOIQSTJYTLK-UHFFFAOYSA-N
XLogP4.00
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119776161
2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119319244
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776177
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide
CID 120631158
(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide
CID 120792334
(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
CID 97353548
(1R)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
CID 97353550
N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 8960895
N-(2,4-dimethoxyphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 17415208
4-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001157
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119776152

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide (CID 126803953) is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide is CCn1nc(C)c(CC(=O)NC(C)c2oc3ccc(OC)cc3c2C)c1C.
What is the InChIKey of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide?
The InChIKey is JJGAOIQSTJYTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-7-24-15(5)18(13(3)23-24)11-20(25)22-14(4)21-12(2)17-10-16(26-6)8-9-19(17)27-21/h8-10,14H,7,11H2,1-6H3,(H,22,25).
What are the key properties of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide?
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 126803953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).