N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide

C18H23N3O3 — CID 50961309

IUPACN-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccccc1CN(CC)C(=O)Cc1c(C)[nH][nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-4-10-24-16-9-7-6-8-14(16)12-21(5-2)17(22)11-15-13(3)19-20-18(15)23/h4,6-9H,1,5,10-12H2,2-3H3,(H2,19,20,23)
InChIKeyNWYZTUUAHBHNKV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.17
Rot. Bonds8

About N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide

N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide (PubChem CID 50961309) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
PubChem CID50961309
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccccc1CN(CC)C(=O)Cc1c(C)[nH][nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-4-10-24-16-9-7-6-8-14(16)12-21(5-2)17(22)11-15-13(3)19-20-18(15)23/h4,6-9H,1,5,10-12H2,2-3H3,(H2,19,20,23)
InChIKeyNWYZTUUAHBHNKV-UHFFFAOYSA-N
XLogP2.17
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
CID 46999749
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 46990549
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 46998618
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 70749985
N,N-diethyl-2-(2-prop-2-enoxyanilino)acetamide
CID 54824487
tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 132608817
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366816
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-diethyl-2-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111810186
N-(1,3-benzodioxol-5-yl)-N-[(2-prop-2-enoxyphenyl)methyl]propanamide
CID 167100332
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
N-methyl-N-(4-methylphenyl)sulfonyl-2-(2-prop-2-enoxyphenyl)acetamide
CID 166448711

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The IUPAC name of N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide (CID 50961309) is N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide is C=CCOc1ccccc1CN(CC)C(=O)Cc1c(C)[nH][nH]c1=O.
What is the InChIKey of N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The InChIKey is NWYZTUUAHBHNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-10-24-16-9-7-6-8-14(16)12-21(5-2)17(22)11-15-13(3)19-20-18(15)23/h4,6-9H,1,5,10-12H2,2-3H3,(H2,19,20,23).
What are the key properties of N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide is sourced from PubChem (CID 50961309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).