N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide

C21H25IN2O3 — CID 6072446

IUPACN-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCC
InChIInChI=1S/C21H25IN2O3/c1-5-26-19-11-17(10-18(22)21(19)27-6-2)13-23-24-20(25)12-16-8-7-14(3)15(4)9-16/h7-11,13H,5-6,12H2,1-4H3,(H,24,25)/b23-13-
InChIKeyDXOWLTZJKDYQGB-QRVIBDJDSA-N
MW480.35 g/mol
LogP4.40
Rot. Bonds8

About N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide

N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 6072446) has the molecular formula C21H25IN2O3 and a molecular weight of 480.35 g/mol. Its IUPAC name is N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
PubChem CID6072446
Molecular FormulaC21H25IN2O3
Molecular Weight480.35 g/mol
Exact Mass480.09
IUPAC NameN-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCC
InChIInChI=1S/C21H25IN2O3/c1-5-26-19-11-17(10-18(22)21(19)27-6-2)13-23-24-20(25)12-16-8-7-14(3)15(4)9-16/h7-11,13H,5-6,12H2,1-4H3,(H,24,25)/b23-13-
InChIKeyDXOWLTZJKDYQGB-QRVIBDJDSA-N
XLogP4.40
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.35
LogP ≤ 54.40
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'}

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Related Compounds

2-(3,4-dimethylphenyl)-N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 6137985
2-(1,3-benzodioxol-5-yl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]acetamide
CID 126152150
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 21379926
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126367545
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 6181959
ethyl 2-[4-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]-2-ethoxy-6-iodophenoxy]acetate
CID 98050703
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 124559177
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137180791
2-(4-tert-butylphenyl)-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135678930
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide
CID 19060884
methyl 2-[4-[(Z)-[[2-(2,4-dimethylphenyl)acetyl]hydrazinylidene]methyl]-2-ethoxy-6-iodophenoxy]acetate
CID 92657956
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126156321

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide (CID 6072446) is N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide is CCOc1cc(/C=N\NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OCC.
What is the InChIKey of N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is DXOWLTZJKDYQGB-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H25IN2O3/c1-5-26-19-11-17(10-18(22)21(19)27-6-2)13-23-24-20(25)12-16-8-7-14(3)15(4)9-16/h7-11,13H,5-6,12H2,1-4H3,(H,24,25)/b23-13-.
What are the key properties of N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 480.35 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 6072446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).