N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide

C20H21N3O2 — CID 2409947

IUPACN-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCC(C)CCNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-14(2)12-13-21-19(24)18-16-10-6-7-11-17(16)20(25)23(22-18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyPZIPVSNHYBCGMV-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.16
Rot. Bonds5

About N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide

N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 2409947) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID2409947
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCC(C)CCNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-14(2)12-13-21-19(24)18-16-10-6-7-11-17(16)20(25)23(22-18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyPZIPVSNHYBCGMV-UHFFFAOYSA-N
XLogP3.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-N-pentyl-3-phenylphthalazine-1-carboxamide
CID 7779349
N-[2-(2,6-dimethylphenoxy)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55724601
4-oxo-3-phenyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 24583740
4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide
CID 8733517
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide
CID 46652657
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2086576
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
CID 27862617
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8936937
4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
CID 51148760

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide (CID 2409947) is N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide is CC(C)CCNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is PZIPVSNHYBCGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(2)12-13-21-19(24)18-16-10-6-7-11-17(16)20(25)23(22-18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 2409947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).