3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide

C22H19N3O3 — CID 9450171

IUPAC3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccco1
InChIInChI=1S/C22H19N3O3/c1-15(19-12-7-13-28-19)23-21(26)20-17-10-5-6-11-18(17)22(27)25(24-20)14-16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyKRSZMDARCYFCNM-OAHLLOKOSA-N
MW373.41 g/mol
LogP3.53
Rot. Bonds5

About 3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide

3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide (PubChem CID 9450171) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide
PubChem CID9450171
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccco1
InChIInChI=1S/C22H19N3O3/c1-15(19-12-7-13-28-19)23-21(26)20-17-10-5-6-11-18(17)22(27)25(24-20)14-16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyKRSZMDARCYFCNM-OAHLLOKOSA-N
XLogP3.53
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.53
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
N-[1-(1-adamantyl)ethyl]-3-benzyl-4-oxophthalazine-1-carboxamide
CID 5030237
3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide
CID 42950890
N-[1-[2-(3-benzyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24636769
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
3-benzyl-4-oxo-N-[(Z)-[(2R)-2-phenylpropylidene]amino]phthalazine-1-carboxamide
CID 9175097
3-benzyl-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 41261547
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate
CID 7191293
N'-(3-benzyl-4-oxophthalazine-1-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 34057526
3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide
CID 43064928
3-benzyl-4-oxo-N-[3-oxo-3-(propylamino)propyl]phthalazine-1-carboxamide
CID 55954463
3-benzyl-N-(2-bromo-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 3450675

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide (CID 9450171) is 3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide is C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccco1.
What is the InChIKey of 3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is KRSZMDARCYFCNM-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-15(19-12-7-13-28-19)23-21(26)20-17-10-5-6-11-18(17)22(27)25(24-20)14-16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide?
3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 9450171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).