N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide

C12H14IN3O3 — CID 108528869

IUPACN'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide
SMILESNCCCN(C=O)C(=O)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H14IN3O3/c13-9-2-4-10(5-3-9)15-11(18)12(19)16(8-17)7-1-6-14/h2-5,8H,1,6-7,14H2,(H,15,18)
InChIKeyMKXNHSYWLCSPDI-UHFFFAOYSA-N
MW375.17 g/mol
LogP0.56
Rot. Bonds5

About N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide

N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide (PubChem CID 108528869) has the molecular formula C12H14IN3O3 and a molecular weight of 375.17 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide
PubChem CID108528869
Molecular FormulaC12H14IN3O3
Molecular Weight375.17 g/mol
Exact Mass375.01
IUPAC NameN'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide
SMILESNCCCN(C=O)C(=O)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H14IN3O3/c13-9-2-4-10(5-3-9)15-11(18)12(19)16(8-17)7-1-6-14/h2-5,8H,1,6-7,14H2,(H,15,18)
InChIKeyMKXNHSYWLCSPDI-UHFFFAOYSA-N
XLogP0.56
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide
CID 108512615
ethyl 4-[[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]amino]benzoate
CID 108500130
N'-(3-aminopropyl)-N-(4-bromo-3-methylphenyl)-N'-formyloxamide
CID 108528915
N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide
CID 108522067
N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide
CID 108528767
N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide
CID 108515462
N-(4-iodophenyl)-N',N'-dipropyloxamide
CID 47335998
N'-butyl-N-(4-iodophenyl)-N'-propyloxamide
CID 108521621
(Z)-3-[3-aminopropyl(formyl)amino]-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851972
N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
CID 108887986
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
CID 108530450

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide?
The IUPAC name of N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide (CID 108528869) is N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide.
What is the SMILES notation for N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide?
The canonical SMILES for N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide is NCCCN(C=O)C(=O)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide?
The InChIKey is MKXNHSYWLCSPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O3/c13-9-2-4-10(5-3-9)15-11(18)12(19)16(8-17)7-1-6-14/h2-5,8H,1,6-7,14H2,(H,15,18).
What are the key properties of N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide?
N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide has a molecular weight of 375.17 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide is sourced from PubChem (CID 108528869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).