N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide

C18H19N3O3 — CID 9141827

IUPACN-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESC[C@@H](CCc1ccco1)NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H19N3O3/c1-12(9-10-13-6-5-11-24-13)19-17(22)16-14-7-3-4-8-15(14)18(23)21(2)20-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyKJZOSFZIWUZLAG-LBPRGKRZSA-N
MW325.37 g/mol
LogP2.28
Rot. Bonds5

About N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 9141827) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID9141827
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESC[C@@H](CCc1ccco1)NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H19N3O3/c1-12(9-10-13-6-5-11-24-13)19-17(22)16-14-7-3-4-8-15(14)18(23)21(2)20-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyKJZOSFZIWUZLAG-LBPRGKRZSA-N
XLogP2.28
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9481891
3-methyl-N-[(2S)-6-methylheptan-2-yl]-4-oxophthalazine-1-carboxamide
CID 2644365
3-methyl-N-(6-methylheptan-2-yl)-4-oxophthalazine-1-carboxamide
CID 18777449
N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide
CID 4854734
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9450575
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2483251
N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide
CID 18100582
1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70726085
N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 5308577
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
methyl (2S)-3-hydroxy-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propanoate
CID 9277699
3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide
CID 7948827

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 9141827) is N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide is C[C@@H](CCc1ccco1)NC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is KJZOSFZIWUZLAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(9-10-13-6-5-11-24-13)19-17(22)16-14-7-3-4-8-15(14)18(23)21(2)20-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 9141827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).