N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide

C25H24N4O2 — CID 8936937

IUPACN-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCN(C)C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H24N4O2/c1-28(2)17-22(18-11-5-3-6-12-18)26-24(30)23-20-15-9-10-16-21(20)25(31)29(27-23)19-13-7-4-8-14-19/h3-16,22H,17H2,1-2H3,(H,26,30)/t22-/m0/s1
InChIKeyITSFHXQIETWVIC-QFIPXVFZSA-N
MW412.49 g/mol
LogP3.42
Rot. Bonds6

About N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 8936937) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID8936937
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCN(C)C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H24N4O2/c1-28(2)17-22(18-11-5-3-6-12-18)26-24(30)23-20-15-9-10-16-21(20)25(31)29(27-23)19-13-7-4-8-14-19/h3-16,22H,17H2,1-2H3,(H,26,30)/t22-/m0/s1
InChIKeyITSFHXQIETWVIC-QFIPXVFZSA-N
XLogP3.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29479645
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
CID 27862617
4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
CID 51148760
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9164757
4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide
CID 8733517
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34464052
N-[2-(dimethylamino)-1-phenylethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42939497
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37243307
4-oxo-3-phenyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 24583740

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 8936937) is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide is CN(C)C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is ITSFHXQIETWVIC-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-28(2)17-22(18-11-5-3-6-12-18)26-24(30)23-20-15-9-10-16-21(20)25(31)29(27-23)19-13-7-4-8-14-19/h3-16,22H,17H2,1-2H3,(H,26,30)/t22-/m0/s1.
What are the key properties of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 8936937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).