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

C8H16N2O4 — CID 44997787

IUPACN'-(2,2-dimethoxyethyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC(OC)OC
InChIInChI=1S/C8H16N2O4/c1-4-9-7(11)8(12)10-5-6(13-2)14-3/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyLZANBBLMBIJQKT-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.14
Rot. Bonds5

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

N'-(2,2-dimethoxyethyl)-N-ethyloxamide (PubChem CID 44997787) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is N'-(2,2-dimethoxyethyl)-N-ethyloxamide.

Molecular Properties

Compound NameN'-(2,2-dimethoxyethyl)-N-ethyloxamide
PubChem CID44997787
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC NameN'-(2,2-dimethoxyethyl)-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC(OC)OC
InChIInChI=1S/C8H16N2O4/c1-4-9-7(11)8(12)10-5-6(13-2)14-3/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyLZANBBLMBIJQKT-UHFFFAOYSA-N
XLogP-1.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.14
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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Related Compounds

N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide
CID 108530037
N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108526359
2,2-dimethoxyethylcarbamic acid
CID 18938836
4-(2,2-dimethoxyethylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992948
N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide
CID 108525813
N'-cyclobutyl-N-(2,2-dimethoxyethyl)oxamide
CID 166103905
2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
CID 91212468
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582
3-(2,2-dimethoxyethyl)-1,1-dimethylurea
CID 79153179
N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530034
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530058

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethoxyethyl)-N-ethyloxamide?
The IUPAC name of N'-(2,2-dimethoxyethyl)-N-ethyloxamide (CID 44997787) is N'-(2,2-dimethoxyethyl)-N-ethyloxamide.
What is the SMILES notation for N'-(2,2-dimethoxyethyl)-N-ethyloxamide?
The canonical SMILES for N'-(2,2-dimethoxyethyl)-N-ethyloxamide is CCNC(=O)C(=O)NCC(OC)OC.
What is the InChIKey of N'-(2,2-dimethoxyethyl)-N-ethyloxamide?
The InChIKey is LZANBBLMBIJQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-4-9-7(11)8(12)10-5-6(13-2)14-3/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12).
What are the key properties of N'-(2,2-dimethoxyethyl)-N-ethyloxamide?
N'-(2,2-dimethoxyethyl)-N-ethyloxamide has a molecular weight of 204.23 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethoxyethyl)-N-ethyloxamide is sourced from PubChem (CID 44997787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).