3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide

C24H21N3O2 — CID 7948827

IUPAC3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-16(17-12-14-19(15-13-17)18-8-4-3-5-9-18)25-23(28)22-20-10-6-7-11-21(20)24(29)27(2)26-22/h3-16H,1-2H3,(H,25,28)/t16-/m1/s1
InChIKeyTXMZOBXCZFKFHV-MRXNPFEDSA-N
MW383.45 g/mol
LogP4.09
Rot. Bonds4

About 3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide

3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide (PubChem CID 7948827) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide
PubChem CID7948827
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-16(17-12-14-19(15-13-17)18-8-4-3-5-9-18)25-23(28)22-20-10-6-7-11-21(20)24(29)27(2)26-22/h3-16H,1-2H3,(H,25,28)/t16-/m1/s1
InChIKeyTXMZOBXCZFKFHV-MRXNPFEDSA-N
XLogP4.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-oxophthalazine-1-carboxamide
CID 7719211
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944572
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 18143477
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9481891
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9109111
3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
CID 17400170
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
4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
CID 51148760
methyl (2S)-3-hydroxy-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propanoate
CID 9277699
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide (CID 7948827) is 3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide is C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide?
The InChIKey is TXMZOBXCZFKFHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16(17-12-14-19(15-13-17)18-8-4-3-5-9-18)25-23(28)22-20-10-6-7-11-21(20)24(29)27(2)26-22/h3-16H,1-2H3,(H,25,28)/t16-/m1/s1.
What are the key properties of 3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide?
3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide is sourced from PubChem (CID 7948827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).