N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide

C22H25ClIN3O4 — CID 124533896

IUPACN-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClIN3O4/c1-2-30-20-12-17(13-25-26-21(28)14-27-7-9-29-10-8-27)11-19(24)22(20)31-15-16-3-5-18(23)6-4-16/h3-6,11-13H,2,7-10,14-15H2,1H3,(H,26,28)/b25-13-
InChIKeyRUUWKJNMMSZSNJ-MXAYSNPKSA-N
MW557.82 g/mol
LogP3.70
Rot. Bonds9

About N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 124533896) has the molecular formula C22H25ClIN3O4 and a molecular weight of 557.82 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID124533896
Molecular FormulaC22H25ClIN3O4
Molecular Weight557.82 g/mol
Exact Mass557.06
IUPAC NameN-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClIN3O4/c1-2-30-20-12-17(13-25-26-21(28)14-27-7-9-29-10-8-27)11-19(24)22(20)31-15-16-3-5-18(23)6-4-16/h3-6,11-13H,2,7-10,14-15H2,1H3,(H,26,28)/b25-13-
InChIKeyRUUWKJNMMSZSNJ-MXAYSNPKSA-N
XLogP3.70
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.82
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide 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-[(E)-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533906
N-[(E)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6876349
N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126007524
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126001303
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126002300
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126325701
4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride
CID 163329179
[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]thiourea
CID 5026063
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 21212526
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124602142
N-[(E)-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533854
N-[(E)-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126005659

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide (CID 124533896) is N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide is CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is RUUWKJNMMSZSNJ-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H25ClIN3O4/c1-2-30-20-12-17(13-25-26-21(28)14-27-7-9-29-10-8-27)11-19(24)22(20)31-15-16-3-5-18(23)6-4-16/h3-6,11-13H,2,7-10,14-15H2,1H3,(H,26,28)/b25-13-.
What are the key properties of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 557.82 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 124533896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).