N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide

C20H21N3O3 — CID 2713287

IUPACN-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccccc2OC)c2ccccc2c1=O
InChIInChI=1S/C20H21N3O3/c1-3-12-23-20(25)16-10-6-5-9-15(16)18(22-23)19(24)21-13-14-8-4-7-11-17(14)26-2/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyURENNFBRVLBDCZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.75
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide

N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 2713287) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID2713287
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccccc2OC)c2ccccc2c1=O
InChIInChI=1S/C20H21N3O3/c1-3-12-23-20(25)16-10-6-5-9-15(16)18(22-23)19(24)21-13-14-8-4-7-11-17(14)26-2/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyURENNFBRVLBDCZ-UHFFFAOYSA-N
XLogP2.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-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-3-propyl-N-[(2,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 27843459
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889959
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 31526897
N-(2-ethyl-6-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 5036813
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 46524166
(2-methoxyphenyl) 3-butyl-4-oxophthalazine-1-carboxylate
CID 4796370
3-benzyl-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 41261547
N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 55341225
N-(3,5-dimethoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4805820
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55434837

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide (CID 2713287) is N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)NCc2ccccc2OC)c2ccccc2c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is URENNFBRVLBDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-12-23-20(25)16-10-6-5-9-15(16)18(22-23)19(24)21-13-14-8-4-7-11-17(14)26-2/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 2713287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).