N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide

C9H18N4O3 — CID 43374724

IUPACN-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide
SMILESCN(C)C(=O)CN(C)C(=O)C(=O)NCCN
InChIInChI=1S/C9H18N4O3/c1-12(2)7(14)6-13(3)9(16)8(15)11-5-4-10/h4-6,10H2,1-3H3,(H,11,15)
InChIKeyLYBJUQHWRVQAQD-UHFFFAOYSA-N
MW230.27 g/mol
LogP-2.39
Rot. Bonds4

About N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide

N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide (PubChem CID 43374724) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide
PubChem CID43374724
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC NameN-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide
SMILESCN(C)C(=O)CN(C)C(=O)C(=O)NCCN
InChIInChI=1S/C9H18N4O3/c1-12(2)7(14)6-13(3)9(16)8(15)11-5-4-10/h4-6,10H2,1-3H3,(H,11,15)
InChIKeyLYBJUQHWRVQAQD-UHFFFAOYSA-N
XLogP-2.39
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-2.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Glycylglycylglycinamide
CID 6427033
1-Ethyl-2,3-piperazinedione
CID 108812
Fibrins
CID 439199
N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
N-Acetylglycinamide
CID 28326
Glycylglycinamide
CID 437662
N,N'-Diacetylethylenediamine
CID 70097
N,N'-bis(2-methylpropyl)oxamide
CID 314340
2,3-Piperazinedione, 1-methyl-
CID 3042433
Ammonium, (2-acetamidoethyl)triethyl-, iodide
CID 40661
Acetamide, N-(2-diethylaminoethyl)-
CID 44428
N,N'-Dipropyloxamide
CID 123335

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide (CID 43374724) is N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide is CN(C)C(=O)CN(C)C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide?
The InChIKey is LYBJUQHWRVQAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-12(2)7(14)6-13(3)9(16)8(15)11-5-4-10/h4-6,10H2,1-3H3,(H,11,15).
What are the key properties of N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide?
N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide has a molecular weight of 230.27 g/mol, XLogP of -2.39, 4 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-(dimethylamino)-2-oxoethyl]-N'-methyloxamide is sourced from PubChem (CID 43374724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).