acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide

C12H24N2O3 — CID 19969290

IUPACacetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(CC)CC.CC(=O)O
InChIInChI=1S/C10H20N2O.C2H4O2/c1-5-12(6-2)8-7-11-10(13)9(3)4;1-2(3)4/h3,5-8H2,1-2,4H3,(H,11,13);1H3,(H,3,4)
InChIKeyOEELXRBXRKKYTM-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.11
Rot. Bonds6

About acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide

acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide (PubChem CID 19969290) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Nameacetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide
PubChem CID19969290
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameacetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(CC)CC.CC(=O)O
InChIInChI=1S/C10H20N2O.C2H4O2/c1-5-12(6-2)8-7-11-10(13)9(3)4;1-2(3)4/h3,5-8H2,1-2,4H3,(H,11,13);1H3,(H,3,4)
InChIKeyOEELXRBXRKKYTM-UHFFFAOYSA-N
XLogP1.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide?
The IUPAC name of acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide (CID 19969290) is acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCN(CC)CC.CC(=O)O.
What is the InChIKey of acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide?
The InChIKey is OEELXRBXRKKYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2H4O2/c1-5-12(6-2)8-7-11-10(13)9(3)4;1-2(3)4/h3,5-8H2,1-2,4H3,(H,11,13);1H3,(H,3,4).
What are the key properties of acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide?
acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide has a molecular weight of 244.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 19969290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).