N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide

C20H28N4O3 — CID 2453312

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)NCC(C)(C)N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C20H28N4O3/c1-4-9-24-19(26)16-8-6-5-7-15(16)17(22-24)18(25)21-14-20(2,3)23-10-12-27-13-11-23/h5-8H,4,9-14H2,1-3H3,(H,21,25)
InChIKeyNJLQZYIBLGDFEY-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.65
Rot. Bonds6

About N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide

N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 2453312) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID2453312
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)NCC(C)(C)N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C20H28N4O3/c1-4-9-24-19(26)16-8-6-5-7-15(16)17(22-24)18(25)21-14-20(2,3)23-10-12-27-13-11-23/h5-8H,4,9-14H2,1-3H3,(H,21,25)
InChIKeyNJLQZYIBLGDFEY-UHFFFAOYSA-N
XLogP1.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide (CID 2453312) is N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)NCC(C)(C)N2CCOCC2)c2ccccc2c1=O.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is NJLQZYIBLGDFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-9-24-19(26)16-8-6-5-7-15(16)17(22-24)18(25)21-14-20(2,3)23-10-12-27-13-11-23/h5-8H,4,9-14H2,1-3H3,(H,21,25).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 2453312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).