2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide

C13H17IN2O3 — CID 91489705

IUPAC2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide
SMILESCC(C)(C)ON(C=O)CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H17IN2O3/c1-13(2,3)19-16(9-17)8-12(18)15-11-6-4-10(14)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyPFCWATDZAIKCLO-UHFFFAOYSA-N
MW376.19 g/mol
LogP2.42
Rot. Bonds5

About 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide

2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide (PubChem CID 91489705) has the molecular formula C13H17IN2O3 and a molecular weight of 376.19 g/mol. Its IUPAC name is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide
PubChem CID91489705
Molecular FormulaC13H17IN2O3
Molecular Weight376.19 g/mol
Exact Mass376.03
IUPAC Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide
SMILESCC(C)(C)ON(C=O)CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H17IN2O3/c1-13(2,3)19-16(9-17)8-12(18)15-11-6-4-10(14)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyPFCWATDZAIKCLO-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8756770
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8712033
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
3-[[2-(4-iodoanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911438
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
N-(4-iodophenyl)but-3-enamide
CID 60651848
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
N-(4-iodophenyl)acetamide
CID 12147
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
2-acetamido-N-(4-iodophenyl)acetamide
CID 60636455
N-(4-iodophenyl)-2-methylsulfonylacetamide
CID 47207302
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide (CID 91489705) is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide is CC(C)(C)ON(C=O)CC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide?
The InChIKey is PFCWATDZAIKCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O3/c1-13(2,3)19-16(9-17)8-12(18)15-11-6-4-10(14)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,18).
What are the key properties of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide?
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide has a molecular weight of 376.19 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 91489705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).