N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide

C18H26N4O2 — CID 3137359

IUPACN-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide
SMILESCCN(CC)CCNC(=O)C(C)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H26N4O2/c1-5-22(6-2)12-11-19-17(23)13(3)16-14-9-7-8-10-15(14)18(24)21(4)20-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,23)
InChIKeyPVOCIDFYAGNVGJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.50
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide

N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide (PubChem CID 3137359) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide
PubChem CID3137359
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide
SMILESCCN(CC)CCNC(=O)C(C)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H26N4O2/c1-5-22(6-2)12-11-19-17(23)13(3)16-14-9-7-8-10-15(14)18(24)21(4)20-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,23)
InChIKeyPVOCIDFYAGNVGJ-UHFFFAOYSA-N
XLogP1.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide (CID 3137359) is N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide is CCN(CC)CCNC(=O)C(C)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide?
The InChIKey is PVOCIDFYAGNVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-22(6-2)12-11-19-17(23)13(3)16-14-9-7-8-10-15(14)18(24)21(4)20-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,23).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide?
N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)propanamide is sourced from PubChem (CID 3137359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).