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

C21H23N3O2 — CID 18192751

IUPAC3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C21H23N3O2/c1-4-13-24(14-16-11-9-15(2)10-12-16)21(26)19-17-7-5-6-8-18(17)20(25)23(3)22-19/h5-12H,4,13-14H2,1-3H3
InChIKeyBDWSMBKLBMCYSJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.29
Rot. Bonds5

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

3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide (PubChem CID 18192751) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide
PubChem CID18192751
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C21H23N3O2/c1-4-13-24(14-16-11-9-15(2)10-12-16)21(26)19-17-7-5-6-8-18(17)20(25)23(3)22-19/h5-12H,4,13-14H2,1-3H3
InChIKeyBDWSMBKLBMCYSJ-UHFFFAOYSA-N
XLogP3.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide?
The IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide (CID 18192751) is 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide is CCCN(Cc1ccc(C)cc1)C(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide?
The InChIKey is BDWSMBKLBMCYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-13-24(14-16-11-9-15(2)10-12-16)21(26)19-17-7-5-6-8-18(17)20(25)23(3)22-19/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide?
3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide is sourced from PubChem (CID 18192751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).