N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide

C15H15IN2O3 — CID 6040206

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(I)cc(C)c1OCC(=O)N/N=C/c1ccco1
InChIInChI=1S/C15H15IN2O3/c1-10-6-12(16)7-11(2)15(10)21-9-14(19)18-17-8-13-4-3-5-20-13/h3-8H,9H2,1-2H3,(H,18,19)/b17-8+
InChIKeyIQRWDISPMZOQHD-CAOOACKPSA-N
MW398.20 g/mol
LogP3.03
Rot. Bonds5

About N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide

N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide (PubChem CID 6040206) has the molecular formula C15H15IN2O3 and a molecular weight of 398.20 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
PubChem CID6040206
Molecular FormulaC15H15IN2O3
Molecular Weight398.20 g/mol
Exact Mass398.01
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(I)cc(C)c1OCC(=O)N/N=C/c1ccco1
InChIInChI=1S/C15H15IN2O3/c1-10-6-12(16)7-11(2)15(10)21-9-14(19)18-17-8-13-4-3-5-20-13/h3-8H,9H2,1-2H3,(H,18,19)/b17-8+
InChIKeyIQRWDISPMZOQHD-CAOOACKPSA-N
XLogP3.03
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 53.03
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-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)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

N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide
CID 832440
2-(2,4-dimethylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 6020779
2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5446377
2-(2-bromo-4-methylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5377482
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 19207892
N-[(Z)-furan-2-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5405073
2-(4-fluorophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5368979
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
CID 136791946
N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 2246608
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
2-(2-bromo-4-propan-2-ylphenoxy)-N-(furan-2-ylmethylideneamino)acetamide
CID 1416781
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748198

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide (CID 6040206) is N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide is Cc1cc(I)cc(C)c1OCC(=O)N/N=C/c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide?
The InChIKey is IQRWDISPMZOQHD-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15IN2O3/c1-10-6-12(16)7-11(2)15(10)21-9-14(19)18-17-8-13-4-3-5-20-13/h3-8H,9H2,1-2H3,(H,18,19)/b17-8+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide has a molecular weight of 398.20 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 6040206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).