2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide

C13H27N3O7 — CID 91212468

IUPAC2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
SMILESCOC(CN)OC.COC(CNC(=O)C(=O)NCC(C)=O)OC
InChIInChI=1S/C9H16N2O5.C4H11NO2/c1-6(12)4-10-8(13)9(14)11-5-7(15-2)16-3;1-6-4(3-5)7-2/h7H,4-5H2,1-3H3,(H,10,13)(H,11,14);4H,3,5H2,1-2H3
InChIKeyHMHTWEDVSILJFL-UHFFFAOYSA-N
MW337.37 g/mol
LogP-2.01
Rot. Bonds9

About 2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide

2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide (PubChem CID 91212468) has the molecular formula C13H27N3O7 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide.

Molecular Properties

Compound Name2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
PubChem CID91212468
Molecular FormulaC13H27N3O7
Molecular Weight337.37 g/mol
Exact Mass337.18
IUPAC Name2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
SMILESCOC(CN)OC.COC(CNC(=O)C(=O)NCC(C)=O)OC
InChIInChI=1S/C9H16N2O5.C4H11NO2/c1-6(12)4-10-8(13)9(14)11-5-7(15-2)16-3;1-6-4(3-5)7-2/h7H,4-5H2,1-3H3,(H,10,13)(H,11,14);4H,3,5H2,1-2H3
InChIKeyHMHTWEDVSILJFL-UHFFFAOYSA-N
XLogP-2.01
TPSA138.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide?
The IUPAC name of 2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide (CID 91212468) is 2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide.
What is the SMILES notation for 2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide?
The canonical SMILES for 2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide is COC(CN)OC.COC(CNC(=O)C(=O)NCC(C)=O)OC.
What is the InChIKey of 2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide?
The InChIKey is HMHTWEDVSILJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5.C4H11NO2/c1-6(12)4-10-8(13)9(14)11-5-7(15-2)16-3;1-6-4(3-5)7-2/h7H,4-5H2,1-3H3,(H,10,13)(H,11,14);4H,3,5H2,1-2H3.
What are the key properties of 2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide?
2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide has a molecular weight of 337.37 g/mol, XLogP of -2.01, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide is sourced from PubChem (CID 91212468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).