N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C20H23N3O4 — CID 134056578

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C(=O)c3c(C)nn(C)c3C)oc12
InChIInChI=1S/C20H23N3O4/c1-6-26-15-9-7-8-14-10-16(27-19(14)15)11(2)21-20(25)18(24)17-12(3)22-23(5)13(17)4/h7-11H,6H2,1-5H3,(H,21,25)
InChIKeyPMQZNAWSKNZKCL-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.24
Rot. Bonds6

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 134056578) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID134056578
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C(=O)c3c(C)nn(C)c3C)oc12
InChIInChI=1S/C20H23N3O4/c1-6-26-15-9-7-8-14-10-16(27-19(14)15)11(2)21-20(25)18(24)17-12(3)22-23(5)13(17)4/h7-11H,6H2,1-5H3,(H,21,25)
InChIKeyPMQZNAWSKNZKCL-UHFFFAOYSA-N
XLogP3.24
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 71879730
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 95187129
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 136539624
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18282452
ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55633376
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86852234
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666808
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55428779

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 134056578) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCOc1cccc2cc(C(C)NC(=O)C(=O)c3c(C)nn(C)c3C)oc12.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is PMQZNAWSKNZKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-6-26-15-9-7-8-14-10-16(27-19(14)15)11(2)21-20(25)18(24)17-12(3)22-23(5)13(17)4/h7-11H,6H2,1-5H3,(H,21,25).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 369.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 134056578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).