N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide

C26H28IN3O2 — CID 126070953

IUPACN-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)Cc2ccccc2)c(OCc2ccc(I)cc2)c1
InChIInChI=1S/C26H28IN3O2/c1-3-30(4-2)24-15-12-22(18-28-29-26(31)16-20-8-6-5-7-9-20)25(17-24)32-19-21-10-13-23(27)14-11-21/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,29,31)/b28-18-
InChIKeyPZATYWWOBKKYFQ-VEILYXNESA-N
MW541.43 g/mol
LogP5.41
Rot. Bonds10

About N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide

N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide (PubChem CID 126070953) has the molecular formula C26H28IN3O2 and a molecular weight of 541.43 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
PubChem CID126070953
Molecular FormulaC26H28IN3O2
Molecular Weight541.43 g/mol
Exact Mass541.12
IUPAC NameN-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)Cc2ccccc2)c(OCc2ccc(I)cc2)c1
InChIInChI=1S/C26H28IN3O2/c1-3-30(4-2)24-15-12-22(18-28-29-26(31)16-20-8-6-5-7-9-20)25(17-24)32-19-21-10-13-23(27)14-11-21/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,29,31)/b28-18-
InChIKeyPZATYWWOBKKYFQ-VEILYXNESA-N
XLogP5.41
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide 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)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 135716815
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-(4-iodophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 46502393
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 5135490
N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide
CID 5456992
N-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-N'-[(E)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]oxamide
CID 21214226
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenoxyacetamide
CID 135472449
2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 71950825
2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061640
N'-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 4026615
(5Z)-5-[[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137138140

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide (CID 126070953) is N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide is CCN(CC)c1ccc(/C=N\NC(=O)Cc2ccccc2)c(OCc2ccc(I)cc2)c1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The InChIKey is PZATYWWOBKKYFQ-VEILYXNESA-N. The full InChI is InChI=1S/C26H28IN3O2/c1-3-30(4-2)24-15-12-22(18-28-29-26(31)16-20-8-6-5-7-9-20)25(17-24)32-19-21-10-13-23(27)14-11-21/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,29,31)/b28-18-.
What are the key properties of N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide has a molecular weight of 541.43 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 126070953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).