N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H18INO2 — CID 112604433

IUPACN-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cc(I)ccc1NC(=O)COC(C)(C)C
InChIInChI=1S/C13H18INO2/c1-9-7-10(14)5-6-11(9)15-12(16)8-17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyCCAXLMJRPLWZRG-UHFFFAOYSA-N
MW347.20 g/mol
LogP3.35
Rot. Bonds3

About N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604433) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604433
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cc(I)ccc1NC(=O)COC(C)(C)C
InChIInChI=1S/C13H18INO2/c1-9-7-10(14)5-6-11(9)15-12(16)8-17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyCCAXLMJRPLWZRG-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604535
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid
CID 60708310
trans-[2-(4-iodo-2-methylanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2359464
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
1-O-ethyl 4-O-[2-(4-iodo-2-methylanilino)-2-oxoethyl] but-2-enedioate
CID 4986163
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627070
2-(3,5-dichlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 18281064
methyl 4-(4-iodo-2-methylanilino)-4-oxobutanoate
CID 683994
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 3498018
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604433) is N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1cc(I)ccc1NC(=O)COC(C)(C)C.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is CCAXLMJRPLWZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-9-7-10(14)5-6-11(9)15-12(16)8-17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 347.20 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).