N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide

C17H25IN2O2 — CID 108516418

IUPACN-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C17H25IN2O2/c1-11(2)9-20(10-12(3)4)17(22)16(21)19-15-7-6-14(18)8-13(15)5/h6-8,11-12H,9-10H2,1-5H3,(H,19,21)
InChIKeyAPETXMGUKIWUKD-UHFFFAOYSA-N
MW416.30 g/mol
LogP3.68
Rot. Bonds5

About N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide

N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide (PubChem CID 108516418) has the molecular formula C17H25IN2O2 and a molecular weight of 416.30 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
PubChem CID108516418
Molecular FormulaC17H25IN2O2
Molecular Weight416.30 g/mol
Exact Mass416.10
IUPAC NameN-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C17H25IN2O2/c1-11(2)9-20(10-12(3)4)17(22)16(21)19-15-7-6-14(18)8-13(15)5/h6-8,11-12H,9-10H2,1-5H3,(H,19,21)
InChIKeyAPETXMGUKIWUKD-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
CID 47335971
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225790
N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108523149
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47226232
N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516409
2-[(2-chloro-4-iodophenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 107605798
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 81075652

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide (CID 108516418) is N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide is Cc1cc(I)ccc1NC(=O)C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The InChIKey is APETXMGUKIWUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25IN2O2/c1-11(2)9-20(10-12(3)4)17(22)16(21)19-15-7-6-14(18)8-13(15)5/h6-8,11-12H,9-10H2,1-5H3,(H,19,21).
What are the key properties of N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide has a molecular weight of 416.30 g/mol, XLogP of 3.68, 5 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)-N',N'-bis(2-methylpropyl)oxamide is sourced from PubChem (CID 108516418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).