N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide

C14H19N3O3 — CID 108515462

IUPACN'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide
SMILESCc1ccc(NC(=O)C(=O)N(C=O)CCCN)c(C)c1
InChIInChI=1S/C14H19N3O3/c1-10-4-5-12(11(2)8-10)16-13(19)14(20)17(9-18)7-3-6-15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,19)
InChIKeyXVOFJSBAIYYWJU-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.58
Rot. Bonds5

About N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide

N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide (PubChem CID 108515462) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide
PubChem CID108515462
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide
SMILESCc1ccc(NC(=O)C(=O)N(C=O)CCCN)c(C)c1
InChIInChI=1S/C14H19N3O3/c1-10-4-5-12(11(2)8-10)16-13(19)14(20)17(9-18)7-3-6-15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,19)
InChIKeyXVOFJSBAIYYWJU-UHFFFAOYSA-N
XLogP0.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.58
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'}

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Related Compounds

N'-(3-aminopropyl)-N-(4-bromo-3-methylphenyl)-N'-formyloxamide
CID 108528915
N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide
CID 108528899
N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide
CID 108522067
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide
CID 108870763
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 108994489
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide
CID 108521655

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide?
The IUPAC name of N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide (CID 108515462) is N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide.
What is the SMILES notation for N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide?
The canonical SMILES for N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide is Cc1ccc(NC(=O)C(=O)N(C=O)CCCN)c(C)c1.
What is the InChIKey of N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide?
The InChIKey is XVOFJSBAIYYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-4-5-12(11(2)8-10)16-13(19)14(20)17(9-18)7-3-6-15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,19).
What are the key properties of N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide?
N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide has a molecular weight of 277.32 g/mol, XLogP of 0.58, 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-(2,4-dimethylphenyl)-N'-formyloxamide is sourced from PubChem (CID 108515462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).