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

C19H26N4O3 — CID 121048720

IUPAC1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
SMILESCOCCn1nc(CNC(=O)NC2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C19H26N4O3/c1-26-12-11-23-18(24)16-10-6-5-9-15(16)17(22-23)13-20-19(25)21-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H2,20,21,25)
InChIKeyPMVLZZHFELWTOX-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.17
Rot. Bonds6

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

1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea (PubChem CID 121048720) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
PubChem CID121048720
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
SMILESCOCCn1nc(CNC(=O)NC2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C19H26N4O3/c1-26-12-11-23-18(24)16-10-6-5-9-15(16)17(22-23)13-20-19(25)21-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H2,20,21,25)
InChIKeyPMVLZZHFELWTOX-UHFFFAOYSA-N
XLogP2.17
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea with MolForge

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Related Compounds

1-cyclohexyl-3-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]urea
CID 90490574
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]cyclopropanecarboxamide
CID 121048517
1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048741
1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-(2-phenoxyethyl)urea
CID 121048443
1-cycloheptyl-3-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049429
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-methylpropanamide
CID 121048510
1-benzhydryl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048755
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121048595
methyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylcarbamoyl]benzoate
CID 121048641
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-methoxyethyl)urea
CID 90490351
ethyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylamino]-2-oxoacetate
CID 121048529
1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 121048747

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea (CID 121048720) is 1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea is COCCn1nc(CNC(=O)NC2CCCCC2)c2ccccc2c1=O.
What is the InChIKey of 1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea?
The InChIKey is PMVLZZHFELWTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-26-12-11-23-18(24)16-10-6-5-9-15(16)17(22-23)13-20-19(25)21-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H2,20,21,25).
What are the key properties of 1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea?
1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea has a molecular weight of 358.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea is sourced from PubChem (CID 121048720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).