N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide

C12H15IN2O3 — CID 9076404

IUPACN-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)COc1ccc(I)cc1
InChIInChI=1S/C12H15IN2O3/c1-2-14-11(16)7-15-12(17)8-18-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyLSQGPHDEJGJXRT-UHFFFAOYSA-N
MW362.17 g/mol
LogP0.92
Rot. Bonds6

About N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide

N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide (PubChem CID 9076404) has the molecular formula C12H15IN2O3 and a molecular weight of 362.17 g/mol. Its IUPAC name is N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide
PubChem CID9076404
Molecular FormulaC12H15IN2O3
Molecular Weight362.17 g/mol
Exact Mass362.01
IUPAC NameN-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)COc1ccc(I)cc1
InChIInChI=1S/C12H15IN2O3/c1-2-14-11(16)7-15-12(17)8-18-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyLSQGPHDEJGJXRT-UHFFFAOYSA-N
XLogP0.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetamide
CID 86907761
methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate
CID 47102294
2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide
CID 43567092
N-ethyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetamide
CID 9224487
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-ethylacetamide
CID 18145615
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate
CID 8511733
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N-ethylacetamide
CID 9231222
N-ethyl-2-(3-iodophenoxy)acetamide
CID 35964603
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide
CID 78798070
N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119384507

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide (CID 9076404) is N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide is CCNC(=O)CNC(=O)COc1ccc(I)cc1.
What is the InChIKey of N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide?
The InChIKey is LSQGPHDEJGJXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O3/c1-2-14-11(16)7-15-12(17)8-18-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide?
N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide has a molecular weight of 362.17 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 9076404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).