2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide

C18H21N3O4 — CID 46990549

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccccc1CN(CC)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C18H21N3O4/c1-3-11-25-15-8-6-5-7-14(15)12-20(4-2)18(24)13-21-17(23)10-9-16(22)19-21/h3,5-10H,1,4,11-13H2,2H3,(H,19,22)
InChIKeyHABFDMSYAMRDKH-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.15
Rot. Bonds8

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide (PubChem CID 46990549) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
PubChem CID46990549
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccccc1CN(CC)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C18H21N3O4/c1-3-11-25-15-8-6-5-7-14(15)12-20(4-2)18(24)13-21-17(23)10-9-16(22)19-21/h3,5-10H,1,4,11-13H2,2H3,(H,19,22)
InChIKeyHABFDMSYAMRDKH-UHFFFAOYSA-N
XLogP1.15
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 46998618
N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 50961309
N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
CID 46999749
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 50981672
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 61425344
tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 132608817
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 70749985
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366816
N,N-diethyl-2-(2-prop-2-enoxyanilino)acetamide
CID 54824487
(2-prop-2-enoxyphenyl)methanol
CID 11137475
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-diethyl-2-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111810186

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide (CID 46990549) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide is C=CCOc1ccccc1CN(CC)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The InChIKey is HABFDMSYAMRDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-11-25-15-8-6-5-7-14(15)12-20(4-2)18(24)13-21-17(23)10-9-16(22)19-21/h3,5-10H,1,4,11-13H2,2H3,(H,19,22).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46990549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).