N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C22H23N3O3 — CID 55534383

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc(C(NC(=O)Cn2nc(C)c3ccccc3c2=O)C2CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-14-18-5-3-4-6-19(18)22(27)25(24-14)13-20(26)23-21(15-7-8-15)16-9-11-17(28-2)12-10-16/h3-6,9-12,15,21H,7-8,13H2,1-2H3,(H,23,26)
InChIKeyWKPIOWKWJMXHFY-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.98
Rot. Bonds6

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 55534383) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID55534383
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc(C(NC(=O)Cn2nc(C)c3ccccc3c2=O)C2CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-14-18-5-3-4-6-19(18)22(27)25(24-14)13-20(26)23-21(15-7-8-15)16-9-11-17(28-2)12-10-16/h3-6,9-12,15,21H,7-8,13H2,1-2H3,(H,23,26)
InChIKeyWKPIOWKWJMXHFY-UHFFFAOYSA-N
XLogP2.98
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide 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

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 134053822
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 55523800
N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1458003
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55782952
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 111426350
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113849
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 55526101
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 100895743

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 55534383) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is COc1ccc(C(NC(=O)Cn2nc(C)c3ccccc3c2=O)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is WKPIOWKWJMXHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-18-5-3-4-6-19(18)22(27)25(24-14)13-20(26)23-21(15-7-8-15)16-9-11-17(28-2)12-10-16/h3-6,9-12,15,21H,7-8,13H2,1-2H3,(H,23,26).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 55534383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).