acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide

C10H20N2O3 — CID 122611801

IUPACacetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCNC.CC(=O)O
InChIInChI=1S/C8H16N2O.C2H4O2/c1-7(2)8(11)10(4)6-5-9-3;1-2(3)4/h9H,1,5-6H2,2-4H3;1H3,(H,3,4)
InChIKeySXTRRHHEKVYAGK-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.33
Rot. Bonds4

About acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide

acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide (PubChem CID 122611801) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Nameacetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide
PubChem CID122611801
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameacetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCNC.CC(=O)O
InChIInChI=1S/C8H16N2O.C2H4O2/c1-7(2)8(11)10(4)6-5-9-3;1-2(3)4/h9H,1,5-6H2,2-4H3;1H3,(H,3,4)
InChIKeySXTRRHHEKVYAGK-UHFFFAOYSA-N
XLogP0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.33
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-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide?
The IUPAC name of acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide (CID 122611801) is acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide.
What is the SMILES notation for acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide?
The canonical SMILES for acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide is C=C(C)C(=O)N(C)CCNC.CC(=O)O.
What is the InChIKey of acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide?
The InChIKey is SXTRRHHEKVYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2H4O2/c1-7(2)8(11)10(4)6-5-9-3;1-2(3)4/h9H,1,5-6H2,2-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide?
acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide has a molecular weight of 216.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 122611801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).