N'-(2,2-diethoxyethyl)-N-ethyloxamide

C10H20N2O4 — CID 13366331

IUPACN'-(2,2-diethoxyethyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC(OCC)OCC
InChIInChI=1S/C10H20N2O4/c1-4-11-9(13)10(14)12-7-8(15-5-2)16-6-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyBBATWGVQWXQZLD-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.36
Rot. Bonds7

About N'-(2,2-diethoxyethyl)-N-ethyloxamide

N'-(2,2-diethoxyethyl)-N-ethyloxamide (PubChem CID 13366331) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N'-(2,2-diethoxyethyl)-N-ethyloxamide.

Molecular Properties

Compound NameN'-(2,2-diethoxyethyl)-N-ethyloxamide
PubChem CID13366331
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC NameN'-(2,2-diethoxyethyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC(OCC)OCC
InChIInChI=1S/C10H20N2O4/c1-4-11-9(13)10(14)12-7-8(15-5-2)16-6-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyBBATWGVQWXQZLD-UHFFFAOYSA-N
XLogP-0.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diethoxyethyl)-N-ethyloxamide?
The IUPAC name of N'-(2,2-diethoxyethyl)-N-ethyloxamide (CID 13366331) is N'-(2,2-diethoxyethyl)-N-ethyloxamide.
What is the SMILES notation for N'-(2,2-diethoxyethyl)-N-ethyloxamide?
The canonical SMILES for N'-(2,2-diethoxyethyl)-N-ethyloxamide is CCNC(=O)C(=O)NCC(OCC)OCC.
What is the InChIKey of N'-(2,2-diethoxyethyl)-N-ethyloxamide?
The InChIKey is BBATWGVQWXQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-11-9(13)10(14)12-7-8(15-5-2)16-6-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N'-(2,2-diethoxyethyl)-N-ethyloxamide?
N'-(2,2-diethoxyethyl)-N-ethyloxamide has a molecular weight of 232.28 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diethoxyethyl)-N-ethyloxamide is sourced from PubChem (CID 13366331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).