N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide

C15H21IN2O2 — CID 47335971

IUPACN-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C15H21IN2O2/c1-4-8-18(9-5-2)15(20)14(19)17-13-7-6-12(16)10-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyMGSWJVVUPXFUFR-UHFFFAOYSA-N
MW388.25 g/mol
LogP3.19
Rot. Bonds5

About N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide

N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide (PubChem CID 47335971) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
PubChem CID47335971
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC NameN-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C15H21IN2O2/c1-4-8-18(9-5-2)15(20)14(19)17-13-7-6-12(16)10-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyMGSWJVVUPXFUFR-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 53.19
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-hydroxy-2-methylphenyl)-N',N'-dipropyloxamide
CID 108509587
N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108516418
N-(4-iodophenyl)-N',N'-dipropyloxamide
CID 47335998
N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
N'-butyl-N-(4-iodophenyl)-N'-propyloxamide
CID 108521621
N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225107
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide
CID 108521655
2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 55437048
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide (CID 47335971) is N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide is CCCN(CCC)C(=O)C(=O)Nc1ccc(I)cc1C.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide?
The InChIKey is MGSWJVVUPXFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-4-8-18(9-5-2)15(20)14(19)17-13-7-6-12(16)10-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide?
N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide has a molecular weight of 388.25 g/mol, XLogP of 3.19, 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'-dipropyloxamide is sourced from PubChem (CID 47335971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).