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

C22H23N3O4 — CID 121048455

IUPACN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESCOCCn1nc(CNC(=O)CCC(=O)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O4/c1-29-14-13-25-22(28)18-10-6-5-9-17(18)19(24-25)15-23-21(27)12-11-20(26)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,23,27)
InChIKeyYHBCNWCCVIVGHX-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.32
Rot. Bonds9

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

N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide (PubChem CID 121048455) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide
PubChem CID121048455
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESCOCCn1nc(CNC(=O)CCC(=O)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O4/c1-29-14-13-25-22(28)18-10-6-5-9-17(18)19(24-25)15-23-21(27)12-11-20(26)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,23,27)
InChIKeyYHBCNWCCVIVGHX-UHFFFAOYSA-N
XLogP2.32
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048741
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121048595
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-methylpropanamide
CID 121048510
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
1-benzhydryl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048755
3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide
CID 121048691
ethyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylamino]-2-oxoacetate
CID 121048529
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-phenoxyethyl)urea
CID 121048443
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide
CID 121048633
1-cyclohexyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048720

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide (CID 121048455) is N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide is COCCn1nc(CNC(=O)CCC(=O)c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide?
The InChIKey is YHBCNWCCVIVGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-29-14-13-25-22(28)18-10-6-5-9-17(18)19(24-25)15-23-21(27)12-11-20(26)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,23,27).
What are the key properties of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide?
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 393.44 g/mol, XLogP of 2.32, 9 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]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 121048455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).