N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide

C13H17IN2O2 — CID 47224746

IUPACN'-(4-iodophenyl)-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H17IN2O2/c1-9(2)7-8-15-12(17)13(18)16-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKRLCLVSQMFAPJZ-UHFFFAOYSA-N
MW360.20 g/mol
LogP2.39
Rot. Bonds4

About N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide

N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide (PubChem CID 47224746) has the molecular formula C13H17IN2O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-(4-iodophenyl)-N-(3-methylbutyl)oxamide
PubChem CID47224746
Molecular FormulaC13H17IN2O2
Molecular Weight360.20 g/mol
Exact Mass360.03
IUPAC NameN'-(4-iodophenyl)-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H17IN2O2/c1-9(2)7-8-15-12(17)13(18)16-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKRLCLVSQMFAPJZ-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 52.39
H-Bond Donors ≤ 52
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

2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
CID 4167970
N'-[4-(azepane-1-carbonyl)phenyl]-N-(3-methylbutyl)oxamide
CID 5056758
N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
CID 111461297
N'-(4-hydroxy-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 108509660
N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide
CID 108529818
N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 112779393
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 47224625

Frequently Asked Questions

What is the IUPAC name of N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide (CID 47224746) is N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide?
The InChIKey is KRLCLVSQMFAPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O2/c1-9(2)7-8-15-12(17)13(18)16-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide?
N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide has a molecular weight of 360.20 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 47224746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).