N'-ethyl-N-methylpropanediamide

C6H12N2O2 — CID 20687725

IUPACN'-ethyl-N-methylpropanediamide
SMILESCCNC(=O)CC(=O)NC
InChIInChI=1S/C6H12N2O2/c1-3-8-6(10)4-5(9)7-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyCXLYCOBAHYYICY-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.74
Rot. Bonds3

About N'-ethyl-N-methylpropanediamide

N'-ethyl-N-methylpropanediamide (PubChem CID 20687725) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N'-ethyl-N-methylpropanediamide.

Molecular Properties

Compound NameN'-ethyl-N-methylpropanediamide
PubChem CID20687725
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN'-ethyl-N-methylpropanediamide
SMILESCCNC(=O)CC(=O)NC
InChIInChI=1S/C6H12N2O2/c1-3-8-6(10)4-5(9)7-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyCXLYCOBAHYYICY-UHFFFAOYSA-N
XLogP-0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N'-ethyl-N-methylpropanediamide?
The IUPAC name of N'-ethyl-N-methylpropanediamide (CID 20687725) is N'-ethyl-N-methylpropanediamide.
What is the SMILES notation for N'-ethyl-N-methylpropanediamide?
The canonical SMILES for N'-ethyl-N-methylpropanediamide is CCNC(=O)CC(=O)NC.
What is the InChIKey of N'-ethyl-N-methylpropanediamide?
The InChIKey is CXLYCOBAHYYICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-8-6(10)4-5(9)7-2/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of N'-ethyl-N-methylpropanediamide?
N'-ethyl-N-methylpropanediamide has a molecular weight of 144.17 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methylpropanediamide is sourced from PubChem (CID 20687725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).