ethane;N-formyl-N-methylacetamide

C8H19NO2 — CID 90819220

IUPACethane;N-formyl-N-methylacetamide
SMILESCC.CC.CC(=O)N(C)C=O
InChIInChI=1S/C4H7NO2.2C2H6/c1-4(7)5(2)3-6;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyZWSXFRRJHOHMRS-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.67
Rot. Bonds1

About ethane;N-formyl-N-methylacetamide

ethane;N-formyl-N-methylacetamide (PubChem CID 90819220) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is ethane;N-formyl-N-methylacetamide.

Molecular Properties

Compound Nameethane;N-formyl-N-methylacetamide
PubChem CID90819220
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Nameethane;N-formyl-N-methylacetamide
SMILESCC.CC.CC(=O)N(C)C=O
InChIInChI=1S/C4H7NO2.2C2H6/c1-4(7)5(2)3-6;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyZWSXFRRJHOHMRS-UHFFFAOYSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-formyl-N-methylacetamide?
The IUPAC name of ethane;N-formyl-N-methylacetamide (CID 90819220) is ethane;N-formyl-N-methylacetamide.
What is the SMILES notation for ethane;N-formyl-N-methylacetamide?
The canonical SMILES for ethane;N-formyl-N-methylacetamide is CC.CC.CC(=O)N(C)C=O.
What is the InChIKey of ethane;N-formyl-N-methylacetamide?
The InChIKey is ZWSXFRRJHOHMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.2C2H6/c1-4(7)5(2)3-6;2*1-2/h3H,1-2H3;2*1-2H3.
What are the key properties of ethane;N-formyl-N-methylacetamide?
ethane;N-formyl-N-methylacetamide has a molecular weight of 161.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-formyl-N-methylacetamide is sourced from PubChem (CID 90819220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).