4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide

C24H25N3O3 — CID 69045819

IUPAC4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-30-19-12-10-17(11-13-19)23(28)25-18-7-5-6-16(14-18)15-22-20-8-3-4-9-21(20)24(29)27-26-22/h5-7,10-14H,2-4,8-9,15H2,1H3,(H,25,28)(H,27,29)
InChIKeyJOKMUELGKRIPRJ-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.89
Rot. Bonds6

About 4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide

4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide (PubChem CID 69045819) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide
PubChem CID69045819
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-30-19-12-10-17(11-13-19)23(28)25-18-7-5-6-16(14-18)15-22-20-8-3-4-9-21(20)24(29)27-26-22/h5-7,10-14H,2-4,8-9,15H2,1H3,(H,25,28)(H,27,29)
InChIKeyJOKMUELGKRIPRJ-UHFFFAOYSA-N
XLogP3.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide 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

3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]-N-(4-propoxyphenyl)benzamide
CID 69042201
3-fluoro-4-methyl-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide
CID 69043490
N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyrrole-2-carboxamide
CID 69090309
2-oxo-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-pyridine-3-carboxamide
CID 69090705
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
N-(3-ethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 110089442
4-ethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27652443
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide
CID 60933770
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide (CID 69045819) is 4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide?
The InChIKey is JOKMUELGKRIPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-30-19-12-10-17(11-13-19)23(28)25-18-7-5-6-16(14-18)15-22-20-8-3-4-9-21(20)24(29)27-26-22/h5-7,10-14H,2-4,8-9,15H2,1H3,(H,25,28)(H,27,29).
What are the key properties of 4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide?
4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 69045819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).