N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide

C14H20N4O3 — CID 108528767

IUPACN'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)N(C=O)CCCN)c1
InChIInChI=1S/C14H20N4O3/c1-17(2)12-6-3-5-11(9-12)16-13(20)14(21)18(10-19)8-4-7-15/h3,5-6,9-10H,4,7-8,15H2,1-2H3,(H,16,20)
InChIKeyIEWYWCNARFCIEC-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.02
Rot. Bonds6

About N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide

N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide (PubChem CID 108528767) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide
PubChem CID108528767
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)N(C=O)CCCN)c1
InChIInChI=1S/C14H20N4O3/c1-17(2)12-6-3-5-11(9-12)16-13(20)14(21)18(10-19)8-4-7-15/h3,5-6,9-10H,4,7-8,15H2,1-2H3,(H,16,20)
InChIKeyIEWYWCNARFCIEC-UHFFFAOYSA-N
XLogP0.02
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-fluorophenyl)-N'-formyloxamide
CID 108512615
N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide
CID 108522067
N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide
CID 108528869
N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
CID 108887986
N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide
CID 108515462
ethyl 4-[[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]amino]benzoate
CID 108500130
N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide
CID 108869157
N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108520830
N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521
N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide
CID 108528841
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide?
The IUPAC name of N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide (CID 108528767) is N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide.
What is the SMILES notation for N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide?
The canonical SMILES for N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide is CN(C)c1cccc(NC(=O)C(=O)N(C=O)CCCN)c1.
What is the InChIKey of N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide?
The InChIKey is IEWYWCNARFCIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17(2)12-6-3-5-11(9-12)16-13(20)14(21)18(10-19)8-4-7-15/h3,5-6,9-10H,4,7-8,15H2,1-2H3,(H,16,20).
What are the key properties of N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide?
N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide has a molecular weight of 292.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide is sourced from PubChem (CID 108528767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).