2-(diethylaminomethyl)-N,N-diethylprop-2-enamide

C12H24N2O — CID 551739

IUPAC2-(diethylaminomethyl)-N,N-diethylprop-2-enamide
SMILESC=C(CN(CC)CC)C(=O)N(CC)CC
InChIInChI=1S/C12H24N2O/c1-6-13(7-2)10-11(5)12(15)14(8-3)9-4/h5-10H2,1-4H3
InChIKeyQSKOBGPJENKNLO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.75
Rot. Bonds7

About 2-(diethylaminomethyl)-N,N-diethylprop-2-enamide

2-(diethylaminomethyl)-N,N-diethylprop-2-enamide (PubChem CID 551739) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N,N-diethylprop-2-enamide.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N,N-diethylprop-2-enamide
PubChem CID551739
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(diethylaminomethyl)-N,N-diethylprop-2-enamide
SMILESC=C(CN(CC)CC)C(=O)N(CC)CC
InChIInChI=1S/C12H24N2O/c1-6-13(7-2)10-11(5)12(15)14(8-3)9-4/h5-10H2,1-4H3
InChIKeyQSKOBGPJENKNLO-UHFFFAOYSA-N
XLogP1.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
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)-N,N-diethylprop-2-enamide?
The IUPAC name of 2-(diethylaminomethyl)-N,N-diethylprop-2-enamide (CID 551739) is 2-(diethylaminomethyl)-N,N-diethylprop-2-enamide.
What is the SMILES notation for 2-(diethylaminomethyl)-N,N-diethylprop-2-enamide?
The canonical SMILES for 2-(diethylaminomethyl)-N,N-diethylprop-2-enamide is C=C(CN(CC)CC)C(=O)N(CC)CC.
What is the InChIKey of 2-(diethylaminomethyl)-N,N-diethylprop-2-enamide?
The InChIKey is QSKOBGPJENKNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-13(7-2)10-11(5)12(15)14(8-3)9-4/h5-10H2,1-4H3.
What are the key properties of 2-(diethylaminomethyl)-N,N-diethylprop-2-enamide?
2-(diethylaminomethyl)-N,N-diethylprop-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N,N-diethylprop-2-enamide is sourced from PubChem (CID 551739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).