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

C21H24N4O3 — CID 121048691

IUPAC3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide
SMILESCOCCn1nc(CNC(=O)c2cccc(N(C)C)c2)c2ccccc2c1=O
InChIInChI=1S/C21H24N4O3/c1-24(2)16-8-6-7-15(13-16)20(26)22-14-19-17-9-4-5-10-18(17)21(27)25(23-19)11-12-28-3/h4-10,13H,11-12,14H2,1-3H3,(H,22,26)
InChIKeySMQFYUUFCGLPPM-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.04
Rot. Bonds7

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

3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide (PubChem CID 121048691) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide
PubChem CID121048691
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide
SMILESCOCCn1nc(CNC(=O)c2cccc(N(C)C)c2)c2ccccc2c1=O
InChIInChI=1S/C21H24N4O3/c1-24(2)16-8-6-7-15(13-16)20(26)22-14-19-17-9-4-5-10-18(17)21(27)25(23-19)11-12-28-3/h4-10,13H,11-12,14H2,1-3H3,(H,22,26)
InChIKeySMQFYUUFCGLPPM-UHFFFAOYSA-N
XLogP2.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide
CID 121048455
methyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylcarbamoyl]benzoate
CID 121048641
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-methylpropanamide
CID 121048510
1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048741
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide
CID 121048633
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]cyclopropanecarboxamide
CID 121048517
5-bromo-2-chloro-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide
CID 121048573
ethyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylamino]-2-oxoacetate
CID 121048529
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121048595
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 121048631
1-benzhydryl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048755
2-(1,2-benzoxazol-3-yl)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]acetamide
CID 121048484

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide (CID 121048691) is 3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide is COCCn1nc(CNC(=O)c2cccc(N(C)C)c2)c2ccccc2c1=O.
What is the InChIKey of 3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide?
The InChIKey is SMQFYUUFCGLPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-24(2)16-8-6-7-15(13-16)20(26)22-14-19-17-9-4-5-10-18(17)21(27)25(23-19)11-12-28-3/h4-10,13H,11-12,14H2,1-3H3,(H,22,26).
What are the key properties of 3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide?
3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide is sourced from PubChem (CID 121048691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).