2-(diethylaminomethyl)prop-2-enamide

C8H16N2O — CID 23365094

IUPAC2-(diethylaminomethyl)prop-2-enamide
SMILESC=C(CN(CC)CC)C(N)=O
InChIInChI=1S/C8H16N2O/c1-4-10(5-2)6-7(3)8(9)11/h3-6H2,1-2H3,(H2,9,11)
InChIKeyKHQXOTRXULHTQF-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.37
Rot. Bonds5

About 2-(diethylaminomethyl)prop-2-enamide

2-(diethylaminomethyl)prop-2-enamide (PubChem CID 23365094) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(diethylaminomethyl)prop-2-enamide.

Molecular Properties

Compound Name2-(diethylaminomethyl)prop-2-enamide
PubChem CID23365094
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(diethylaminomethyl)prop-2-enamide
SMILESC=C(CN(CC)CC)C(N)=O
InChIInChI=1S/C8H16N2O/c1-4-10(5-2)6-7(3)8(9)11/h3-6H2,1-2H3,(H2,9,11)
InChIKeyKHQXOTRXULHTQF-UHFFFAOYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)prop-2-enamide?
The IUPAC name of 2-(diethylaminomethyl)prop-2-enamide (CID 23365094) is 2-(diethylaminomethyl)prop-2-enamide.
What is the SMILES notation for 2-(diethylaminomethyl)prop-2-enamide?
The canonical SMILES for 2-(diethylaminomethyl)prop-2-enamide is C=C(CN(CC)CC)C(N)=O.
What is the InChIKey of 2-(diethylaminomethyl)prop-2-enamide?
The InChIKey is KHQXOTRXULHTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-10(5-2)6-7(3)8(9)11/h3-6H2,1-2H3,(H2,9,11).
What are the key properties of 2-(diethylaminomethyl)prop-2-enamide?
2-(diethylaminomethyl)prop-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)prop-2-enamide is sourced from PubChem (CID 23365094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).