N,N'-bis(2-methoxyethyl)propanediamide

C9H18N2O4 — CID 11127730

IUPACN,N'-bis(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)NCCOC
InChIInChI=1S/C9H18N2O4/c1-14-5-3-10-8(12)7-9(13)11-4-6-15-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyCLCZTWVSJJBYBC-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.10
Rot. Bonds8

About N,N'-bis(2-methoxyethyl)propanediamide

N,N'-bis(2-methoxyethyl)propanediamide (PubChem CID 11127730) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N,N'-bis(2-methoxyethyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-methoxyethyl)propanediamide
PubChem CID11127730
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN,N'-bis(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)NCCOC
InChIInChI=1S/C9H18N2O4/c1-14-5-3-10-8(12)7-9(13)11-4-6-15-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyCLCZTWVSJJBYBC-UHFFFAOYSA-N
XLogP-1.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methoxyethyl)propanediamide?
The IUPAC name of N,N'-bis(2-methoxyethyl)propanediamide (CID 11127730) is N,N'-bis(2-methoxyethyl)propanediamide.
What is the SMILES notation for N,N'-bis(2-methoxyethyl)propanediamide?
The canonical SMILES for N,N'-bis(2-methoxyethyl)propanediamide is COCCNC(=O)CC(=O)NCCOC.
What is the InChIKey of N,N'-bis(2-methoxyethyl)propanediamide?
The InChIKey is CLCZTWVSJJBYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-14-5-3-10-8(12)7-9(13)11-4-6-15-2/h3-7H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N,N'-bis(2-methoxyethyl)propanediamide?
N,N'-bis(2-methoxyethyl)propanediamide has a molecular weight of 218.25 g/mol, XLogP of -1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methoxyethyl)propanediamide is sourced from PubChem (CID 11127730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).