2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide

C9H20N2O3 — CID 59958258

IUPAC2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide
SMILES[2H]C(NC)C(=O)N(CC)CC(OC)OC
InChIInChI=1S/C9H20N2O3/c1-5-11(8(12)6-10-2)7-9(13-3)14-4/h9-10H,5-7H2,1-4H3/i6D
InChIKeyOVZUEPKSXCYLGZ-RAMDWTOOSA-N
MW205.28 g/mol
LogP-0.33
Rot. Bonds7

About 2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide

2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide (PubChem CID 59958258) has the molecular formula C9H20N2O3 and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide.

Molecular Properties

Compound Name2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide
PubChem CID59958258
Molecular FormulaC9H20N2O3
Molecular Weight205.28 g/mol
Exact Mass205.15
IUPAC Name2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide
SMILES[2H]C(NC)C(=O)N(CC)CC(OC)OC
InChIInChI=1S/C9H20N2O3/c1-5-11(8(12)6-10-2)7-9(13-3)14-4/h9-10H,5-7H2,1-4H3/i6D
InChIKeyOVZUEPKSXCYLGZ-RAMDWTOOSA-N
XLogP-0.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide?
The IUPAC name of 2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide (CID 59958258) is 2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide.
What is the SMILES notation for 2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide?
The canonical SMILES for 2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide is [2H]C(NC)C(=O)N(CC)CC(OC)OC.
What is the InChIKey of 2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide?
The InChIKey is OVZUEPKSXCYLGZ-RAMDWTOOSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-5-11(8(12)6-10-2)7-9(13-3)14-4/h9-10H,5-7H2,1-4H3/i6D.
What are the key properties of 2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide?
2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide has a molecular weight of 205.28 g/mol, XLogP of -0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-N-(2,2-dimethoxyethyl)-N-ethyl-2-(methylamino)acetamide is sourced from PubChem (CID 59958258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).