N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide

C8H16N4O3 — CID 43374719

IUPACN-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide
SMILESCNC(=O)CN(C)C(=O)C(=O)NCCN
InChIInChI=1S/C8H16N4O3/c1-10-6(13)5-12(2)8(15)7(14)11-4-3-9/h3-5,9H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyLJSKPHYRHZFBLZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-2.73
Rot. Bonds4

About N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide

N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide (PubChem CID 43374719) has the molecular formula C8H16N4O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide
PubChem CID43374719
Molecular FormulaC8H16N4O3
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC NameN-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide
SMILESCNC(=O)CN(C)C(=O)C(=O)NCCN
InChIInChI=1S/C8H16N4O3/c1-10-6(13)5-12(2)8(15)7(14)11-4-3-9/h3-5,9H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyLJSKPHYRHZFBLZ-UHFFFAOYSA-N
XLogP-2.73
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-2.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide
CID 55000373
N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide
CID 43374724
N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide
CID 107197511
N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide
CID 81053733
3-amino-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 165148153
N-(2-aminoethyl)-N'-methyl-N'-pentan-3-yloxamide
CID 43570583
2,3-dimethyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobut-2-enoic acid
CID 76991328
2-[4-aminobutyl(methyl)amino]-N-methylacetamide
CID 43374665
N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
CID 43575591
N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide
CID 43571597
N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide
CID 43525988
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43375282

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide (CID 43374719) is N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide is CNC(=O)CN(C)C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide?
The InChIKey is LJSKPHYRHZFBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3/c1-10-6(13)5-12(2)8(15)7(14)11-4-3-9/h3-5,9H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide?
N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide has a molecular weight of 216.24 g/mol, XLogP of -2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide is sourced from PubChem (CID 43374719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).