N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide

C24H25N5O5 — CID 55713248

IUPACN'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)CCCOc2ccc(C#N)cc2OC)c2ccccc2c1=O
InChIInChI=1S/C24H25N5O5/c1-3-12-29-24(32)18-8-5-4-7-17(18)22(28-29)23(31)27-26-21(30)9-6-13-34-19-11-10-16(15-25)14-20(19)33-2/h4-5,7-8,10-11,14H,3,6,9,12-13H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXNBSXFQZPOPKLT-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.31
Rot. Bonds9

About N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide

N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide (PubChem CID 55713248) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
PubChem CID55713248
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC NameN'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)CCCOc2ccc(C#N)cc2OC)c2ccccc2c1=O
InChIInChI=1S/C24H25N5O5/c1-3-12-29-24(32)18-8-5-4-7-17(18)22(28-29)23(31)27-26-21(30)9-6-13-34-19-11-10-16(15-25)14-20(19)33-2/h4-5,7-8,10-11,14H,3,6,9,12-13H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXNBSXFQZPOPKLT-UHFFFAOYSA-N
XLogP2.31
TPSA135.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide 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'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889919
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 55352746
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949643
3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide
CID 24634863
N'-[3-(2,3-dichlorophenoxy)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788848
N'-[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26876061
4-oxo-3-propyl-N-[(2,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 27843459
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889959
3-butyl-N-(4-ethoxy-3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 39729695
3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide
CID 24532217

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide (CID 55713248) is N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNC(=O)CCCOc2ccc(C#N)cc2OC)c2ccccc2c1=O.
What is the InChIKey of N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The InChIKey is XNBSXFQZPOPKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-3-12-29-24(32)18-8-5-4-7-17(18)22(28-29)23(31)27-26-21(30)9-6-13-34-19-11-10-16(15-25)14-20(19)33-2/h4-5,7-8,10-11,14H,3,6,9,12-13H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide has a molecular weight of 463.49 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 55713248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).