N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide

C28H24I2N2O2 — CID 126367547

IUPACN-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1
InChIInChI=1S/C28H24I2N2O2/c1-2-19-10-12-20(13-11-19)16-27(33)32-31-17-21-14-25(29)28(26(30)15-21)34-18-23-8-5-7-22-6-3-4-9-24(22)23/h3-15,17H,2,16,18H2,1H3,(H,32,33)/b31-17+
InChIKeyIZZGHWOIIHIPEB-KBVAKVRCSA-N
MW674.32 g/mol
LogP6.88
Rot. Bonds8

About N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide

N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide (PubChem CID 126367547) has the molecular formula C28H24I2N2O2 and a molecular weight of 674.32 g/mol. Its IUPAC name is N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
PubChem CID126367547
Molecular FormulaC28H24I2N2O2
Molecular Weight674.32 g/mol
Exact Mass673.99
IUPAC NameN-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1
InChIInChI=1S/C28H24I2N2O2/c1-2-19-10-12-20(13-11-19)16-27(33)32-31-17-21-14-25(29)28(26(30)15-21)34-18-23-8-5-7-22-6-3-4-9-24(22)23/h3-15,17H,2,16,18H2,1H3,(H,32,33)/b31-17+
InChIKeyIZZGHWOIIHIPEB-KBVAKVRCSA-N
XLogP6.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.32
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)-N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126148819
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126226811
2-(4-bromophenyl)-N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 99665428
2-(3,4-dimethylphenyl)-N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 6137985
N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6011240
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126261909
N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 4099852
1-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-ethylthiourea
CID 126377218
2-(2,5-dimethylphenyl)-N-[(E)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126364397
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126262498
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124602142
N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6281145

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide (CID 126367547) is N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide is CCc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1.
What is the InChIKey of N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide?
The InChIKey is IZZGHWOIIHIPEB-KBVAKVRCSA-N. The full InChI is InChI=1S/C28H24I2N2O2/c1-2-19-10-12-20(13-11-19)16-27(33)32-31-17-21-14-25(29)28(26(30)15-21)34-18-23-8-5-7-22-6-3-4-9-24(22)23/h3-15,17H,2,16,18H2,1H3,(H,32,33)/b31-17+.
What are the key properties of N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide?
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide has a molecular weight of 674.32 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 126367547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).