2-(2-methoxyethyl)propanediamide

C6H12N2O3 — CID 143013500

IUPAC2-(2-methoxyethyl)propanediamide
SMILESCOCCC(C(N)=O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-11-3-2-4(5(7)9)6(8)10/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyDZKOWCPCQXGMSN-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.39
Rot. Bonds5

About 2-(2-methoxyethyl)propanediamide

2-(2-methoxyethyl)propanediamide (PubChem CID 143013500) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(2-methoxyethyl)propanediamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)propanediamide
PubChem CID143013500
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-(2-methoxyethyl)propanediamide
SMILESCOCCC(C(N)=O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-11-3-2-4(5(7)9)6(8)10/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyDZKOWCPCQXGMSN-UHFFFAOYSA-N
XLogP-1.39
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)propanediamide?
The IUPAC name of 2-(2-methoxyethyl)propanediamide (CID 143013500) is 2-(2-methoxyethyl)propanediamide.
What is the SMILES notation for 2-(2-methoxyethyl)propanediamide?
The canonical SMILES for 2-(2-methoxyethyl)propanediamide is COCCC(C(N)=O)C(N)=O.
What is the InChIKey of 2-(2-methoxyethyl)propanediamide?
The InChIKey is DZKOWCPCQXGMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-11-3-2-4(5(7)9)6(8)10/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10).
What are the key properties of 2-(2-methoxyethyl)propanediamide?
2-(2-methoxyethyl)propanediamide has a molecular weight of 160.17 g/mol, XLogP of -1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)propanediamide is sourced from PubChem (CID 143013500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).