N'-butyl-N-(4-iodophenyl)-N'-propyloxamide

C15H21IN2O2 — CID 108521621

IUPACN'-butyl-N-(4-iodophenyl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H21IN2O2/c1-3-5-11-18(10-4-2)15(20)14(19)17-13-8-6-12(16)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyFHSDRAVULJRJRM-UHFFFAOYSA-N
MW388.25 g/mol
LogP3.27
Rot. Bonds6

About N'-butyl-N-(4-iodophenyl)-N'-propyloxamide

N'-butyl-N-(4-iodophenyl)-N'-propyloxamide (PubChem CID 108521621) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N'-butyl-N-(4-iodophenyl)-N'-propyloxamide.

Molecular Properties

Compound NameN'-butyl-N-(4-iodophenyl)-N'-propyloxamide
PubChem CID108521621
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC NameN'-butyl-N-(4-iodophenyl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H21IN2O2/c1-3-5-11-18(10-4-2)15(20)14(19)17-13-8-6-12(16)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyFHSDRAVULJRJRM-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 53.27
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-iodophenyl)-N',N'-dipropyloxamide
CID 47335998
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
CID 108521591
N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide
CID 108519413
N-(4-bromophenyl)-N',N'-dioctyloxamide
CID 163361775
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
N-(4-carbamoylphenyl)-N',N'-dipropyloxamide
CID 108528696
ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108500129
N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
CID 47335971
N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide
CID 108509295
N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide
CID 108512726
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
N-[3,5-bis(trifluoromethyl)phenyl]-N',N'-dibutyloxamide
CID 108524560

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(4-iodophenyl)-N'-propyloxamide?
The IUPAC name of N'-butyl-N-(4-iodophenyl)-N'-propyloxamide (CID 108521621) is N'-butyl-N-(4-iodophenyl)-N'-propyloxamide.
What is the SMILES notation for N'-butyl-N-(4-iodophenyl)-N'-propyloxamide?
The canonical SMILES for N'-butyl-N-(4-iodophenyl)-N'-propyloxamide is CCCCN(CCC)C(=O)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N'-butyl-N-(4-iodophenyl)-N'-propyloxamide?
The InChIKey is FHSDRAVULJRJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-3-5-11-18(10-4-2)15(20)14(19)17-13-8-6-12(16)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,17,19).
What are the key properties of N'-butyl-N-(4-iodophenyl)-N'-propyloxamide?
N'-butyl-N-(4-iodophenyl)-N'-propyloxamide has a molecular weight of 388.25 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(4-iodophenyl)-N'-propyloxamide is sourced from PubChem (CID 108521621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).