N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

C22H25Cl2N3O5 — CID 55377186

IUPACN-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc(C(CC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)NC(C)=O)cc1
InChIInChI=1S/C22H25Cl2N3O5/c1-14(28)25-19(15-5-8-17(31-2)9-6-15)13-22(30)27-26-21(29)4-3-11-32-20-10-7-16(23)12-18(20)24/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyWJWOIZKQQWSBGH-UHFFFAOYSA-N
MW482.36 g/mol
LogP3.58
Rot. Bonds10

About N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (PubChem CID 55377186) has the molecular formula C22H25Cl2N3O5 and a molecular weight of 482.36 g/mol. Its IUPAC name is N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
PubChem CID55377186
Molecular FormulaC22H25Cl2N3O5
Molecular Weight482.36 g/mol
Exact Mass481.12
IUPAC NameN-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc(C(CC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)NC(C)=O)cc1
InChIInChI=1S/C22H25Cl2N3O5/c1-14(28)25-19(15-5-8-17(31-2)9-6-15)13-22(30)27-26-21(29)4-3-11-32-20-10-7-16(23)12-18(20)24/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyWJWOIZKQQWSBGH-UHFFFAOYSA-N
XLogP3.58
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.36
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]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

1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 134027323
4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide
CID 4943400
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 3329498
(4-bromo-2-chlorophenyl) 3-acetamido-3-(4-methoxyphenyl)propanoate
CID 43038695
4-(2,4-dichlorophenoxy)-N-[(2,5-dimethoxyphenyl)carbamothioyl]butanamide
CID 3250470
N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-methylbutanamide
CID 4923094
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (CID 55377186) is N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is COc1ccc(C(CC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)NC(C)=O)cc1.
What is the InChIKey of N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The InChIKey is WJWOIZKQQWSBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O5/c1-14(28)25-19(15-5-8-17(31-2)9-6-15)13-22(30)27-26-21(29)4-3-11-32-20-10-7-16(23)12-18(20)24/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide has a molecular weight of 482.36 g/mol, XLogP of 3.58, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 55377186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).