N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide

C16H21N3O2 — CID 4193857

IUPACN,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide
SMILESCCN(CC)C(=O)C(C)n1nc(C)c2ccccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-5-18(6-2)15(20)12(4)19-16(21)14-10-8-7-9-13(14)11(3)17-19/h7-10,12H,5-6H2,1-4H3
InChIKeyLMYVLXJQHKJXGK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds4

About N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide

N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide (PubChem CID 4193857) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide
PubChem CID4193857
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide
SMILESCCN(CC)C(=O)C(C)n1nc(C)c2ccccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-5-18(6-2)15(20)12(4)19-16(21)14-10-8-7-9-13(14)11(3)17-19/h7-10,12H,5-6H2,1-4H3
InChIKeyLMYVLXJQHKJXGK-UHFFFAOYSA-N
XLogP2.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide?
The IUPAC name of N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide (CID 4193857) is N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide.
What is the SMILES notation for N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide?
The canonical SMILES for N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide is CCN(CC)C(=O)C(C)n1nc(C)c2ccccc2c1=O.
What is the InChIKey of N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide?
The InChIKey is LMYVLXJQHKJXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-18(6-2)15(20)12(4)19-16(21)14-10-8-7-9-13(14)11(3)17-19/h7-10,12H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide?
N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide is sourced from PubChem (CID 4193857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).