N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide

C9H19N3O3 — CID 81053733

IUPACN-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide
SMILESCCOCCN(C)C(=O)C(=O)NCCN
InChIInChI=1S/C9H19N3O3/c1-3-15-7-6-12(2)9(14)8(13)11-5-4-10/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyOUWVNNWCCFXEFA-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.44
Rot. Bonds6

About N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide

N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide (PubChem CID 81053733) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide
PubChem CID81053733
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide
SMILESCCOCCN(C)C(=O)C(=O)NCCN
InChIInChI=1S/C9H19N3O3/c1-3-15-7-6-12(2)9(14)8(13)11-5-4-10/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyOUWVNNWCCFXEFA-UHFFFAOYSA-N
XLogP-1.44
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide
CID 43374724
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
CID 81061794
N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide
CID 107197511
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
2-amino-N-[2-[2-ethoxyethyl(methyl)amino]-2-oxoethyl]acetamide
CID 81058436
N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide
CID 43374719
6-amino-N-(2-ethoxyethyl)-N-methylhexanamide
CID 81059139
N-(2-ethoxyethyl)-N-methyl-3-(methylamino)propanamide
CID 81058236
N'-butyl-N-(2-methoxyethyl)-N'-methyloxamide
CID 108505015
N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
CID 108505282
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-methylpropanamide
CID 168897621

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide (CID 81053733) is N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide is CCOCCN(C)C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide?
The InChIKey is OUWVNNWCCFXEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-15-7-6-12(2)9(14)8(13)11-5-4-10/h3-7,10H2,1-2H3,(H,11,13).
What are the key properties of N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide?
N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide has a molecular weight of 217.27 g/mol, XLogP of -1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide is sourced from PubChem (CID 81053733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).