N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide

C20H21N3O4 — CID 121048595

IUPACN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
SMILESCOCCn1nc(CNC(=O)COc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H21N3O4/c1-26-12-11-23-20(25)17-10-6-5-9-16(17)18(22-23)13-21-19(24)14-27-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyKFVUYCXTZMSGRX-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.74
Rot. Bonds8

About N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide

N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide (PubChem CID 121048595) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
PubChem CID121048595
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
SMILESCOCCn1nc(CNC(=O)COc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H21N3O4/c1-26-12-11-23-20(25)17-10-6-5-9-16(17)18(22-23)13-21-19(24)14-27-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyKFVUYCXTZMSGRX-UHFFFAOYSA-N
XLogP1.74
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-(2-phenoxyethyl)urea
CID 121048443
1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048741
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide
CID 121048455
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-methylpropanamide
CID 121048510
methyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylcarbamoyl]benzoate
CID 121048641
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]cyclopropanecarboxamide
CID 121048517
1-benzhydryl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048755
ethyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylamino]-2-oxoacetate
CID 121048529
N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121049579
2-(1,2-benzoxazol-3-yl)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]acetamide
CID 121048484
1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 121048747
2-(4-ethoxyphenoxy)-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]acetamide
CID 90490491

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide (CID 121048595) is N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide is COCCn1nc(CNC(=O)COc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide?
The InChIKey is KFVUYCXTZMSGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-26-12-11-23-20(25)17-10-6-5-9-16(17)18(22-23)13-21-19(24)14-27-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,24).
What are the key properties of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide?
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide has a molecular weight of 367.41 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 121048595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).