N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide

C23H25N3O3 — CID 46998618

IUPACN-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccccc1CN(CC)C(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C23H25N3O3/c1-4-14-29-21-13-9-6-10-18(21)15-25(5-2)22(27)16-26-23(28)20-12-8-7-11-19(20)17(3)24-26/h4,6-13H,1,5,14-16H2,2-3H3
InChIKeyIDSCAASEVSPQGX-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.32
Rot. Bonds8

About N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide

N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide (PubChem CID 46998618) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
PubChem CID46998618
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccccc1CN(CC)C(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C23H25N3O3/c1-4-14-29-21-13-9-6-10-18(21)15-25(5-2)22(27)16-26-23(28)20-12-8-7-11-19(20)17(3)24-26/h4,6-13H,1,5,14-16H2,2-3H3
InChIKeyIDSCAASEVSPQGX-UHFFFAOYSA-N
XLogP3.32
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 46990549
N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
CID 46999749
N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 50961309
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-prop-2-enylacetamide
CID 36897114
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51091584
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55526023
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 70749985
N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 70782852
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46983897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The IUPAC name of N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide (CID 46998618) is N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide is C=CCOc1ccccc1CN(CC)C(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
The InChIKey is IDSCAASEVSPQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-14-29-21-13-9-6-10-18(21)15-25(5-2)22(27)16-26-23(28)20-12-8-7-11-19(20)17(3)24-26/h4,6-13H,1,5,14-16H2,2-3H3.
What are the key properties of N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide?
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46998618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).