N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide

C24H23N3O3 — CID 31963957

IUPACN-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)c2ccccc2c1=O
InChIInChI=1S/C24H23N3O3/c1-3-14-27-23(28)21-9-5-4-8-20(21)22(25-27)24(29)26(16-19-7-6-15-30-19)18-12-10-17(2)11-13-18/h4-13,15H,3,14,16H2,1-2H3
InChIKeyFEFSNRXHTNYUJJ-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.55
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide

N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 31963957) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID31963957
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)c2ccccc2c1=O
InChIInChI=1S/C24H23N3O3/c1-3-14-27-23(28)21-9-5-4-8-20(21)22(25-27)24(29)26(16-19-7-6-15-30-19)18-12-10-17(2)11-13-18/h4-13,15H,3,14,16H2,1-2H3
InChIKeyFEFSNRXHTNYUJJ-UHFFFAOYSA-N
XLogP4.55
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide
CID 18100582
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 33092006
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 51462314
N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46652418
N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide
CID 75396623
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 42979044
3,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
CID 18226162
N-(furan-2-ylmethyl)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 18192896
N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24586065
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 51189023
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024570

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide (CID 31963957) is N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)c2ccccc2c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is FEFSNRXHTNYUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-14-27-23(28)21-9-5-4-8-20(21)22(25-27)24(29)26(16-19-7-6-15-30-19)18-12-10-17(2)11-13-18/h4-13,15H,3,14,16H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 31963957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).