N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide

C20H20I4N2O4 — CID 102483166

IUPACN,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide
SMILESCOc1c(I)cc(CCNC(=O)C(=O)NCCc2cc(I)c(OC)c(I)c2)cc1I
InChIInChI=1S/C20H20I4N2O4/c1-29-17-13(21)7-11(8-14(17)22)3-5-25-19(27)20(28)26-6-4-12-9-15(23)18(30-2)16(24)10-12/h7-10H,3-6H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHQACVRWWRXTHJY-UHFFFAOYSA-N
MW860.01 g/mol
LogP4.14
Rot. Bonds8

About N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide

N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide (PubChem CID 102483166) has the molecular formula C20H20I4N2O4 and a molecular weight of 860.01 g/mol. Its IUPAC name is N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide
PubChem CID102483166
Molecular FormulaC20H20I4N2O4
Molecular Weight860.01 g/mol
Exact Mass859.76
IUPAC NameN,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide
SMILESCOc1c(I)cc(CCNC(=O)C(=O)NCCc2cc(I)c(OC)c(I)c2)cc1I
InChIInChI=1S/C20H20I4N2O4/c1-29-17-13(21)7-11(8-14(17)22)3-5-25-19(27)20(28)26-6-4-12-9-15(23)18(30-2)16(24)10-12/h7-10H,3-6H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHQACVRWWRXTHJY-UHFFFAOYSA-N
XLogP4.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500860.01
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(3,5-diiodo-4-methoxyphenyl)-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 163112295
N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108985137
N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-oxoacetic acid
CID 115141461
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
CID 115169411
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
N-butyl-3,5-diiodo-4-methoxybenzamide
CID 24834302
methyl 2-[2-(3,5-difluorophenyl)ethylamino]-2-oxoacetate
CID 112617153
N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide
CID 136676413
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
CID 113095674
N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 6260731

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide (CID 102483166) is N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide is COc1c(I)cc(CCNC(=O)C(=O)NCCc2cc(I)c(OC)c(I)c2)cc1I.
What is the InChIKey of N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide?
The InChIKey is HQACVRWWRXTHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20I4N2O4/c1-29-17-13(21)7-11(8-14(17)22)3-5-25-19(27)20(28)26-6-4-12-9-15(23)18(30-2)16(24)10-12/h7-10H,3-6H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide?
N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide has a molecular weight of 860.01 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 102483166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).