1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea

C20H22N4O3 — CID 121048741

IUPAC1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
SMILESCOCCn1nc(CNC(=O)NCc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H22N4O3/c1-27-12-11-24-19(25)17-10-6-5-9-16(17)18(23-24)14-22-20(26)21-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,21,22,26)
InChIKeyLTARWIPNTHKALK-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.04
Rot. Bonds7

About 1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea

1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea (PubChem CID 121048741) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
PubChem CID121048741
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
SMILESCOCCn1nc(CNC(=O)NCc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H22N4O3/c1-27-12-11-24-19(25)17-10-6-5-9-16(17)18(23-24)14-22-20(26)21-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,21,22,26)
InChIKeyLTARWIPNTHKALK-UHFFFAOYSA-N
XLogP2.04
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-(2-phenoxyethyl)urea
CID 121048443
1-benzhydryl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048755
1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 121048747
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide
CID 121048633
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-methylpropanamide
CID 121048510
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121048595
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide
CID 121048455
1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048720
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]cyclopropanecarboxamide
CID 121048517
methyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylcarbamoyl]benzoate
CID 121048641
ethyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylamino]-2-oxoacetate
CID 121048529
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-phenyloxane-4-carboxamide
CID 121048698

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea?
The IUPAC name of 1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea (CID 121048741) is 1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea.
What is the SMILES notation for 1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea?
The canonical SMILES for 1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea is COCCn1nc(CNC(=O)NCc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea?
The InChIKey is LTARWIPNTHKALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-27-12-11-24-19(25)17-10-6-5-9-16(17)18(23-24)14-22-20(26)21-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,21,22,26).
What are the key properties of 1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea?
1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea has a molecular weight of 366.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea is sourced from PubChem (CID 121048741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).