N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide

C13H24N2O2 — CID 135165456

IUPACN-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide
SMILESCCN(C)C(=O)CN(C)C/C=C/C(=O)C(C)C
InChIInChI=1S/C13H24N2O2/c1-6-15(5)13(17)10-14(4)9-7-8-12(16)11(2)3/h7-8,11H,6,9-10H2,1-5H3/b8-7+
InChIKeyODWHGIWLOTUOIE-BQYQJAHWSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds7

About N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide

N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide (PubChem CID 135165456) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide
PubChem CID135165456
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide
SMILESCCN(C)C(=O)CN(C)C/C=C/C(=O)C(C)C
InChIInChI=1S/C13H24N2O2/c1-6-15(5)13(17)10-14(4)9-7-8-12(16)11(2)3/h7-8,11H,6,9-10H2,1-5H3/b8-7+
InChIKeyODWHGIWLOTUOIE-BQYQJAHWSA-N
XLogP1.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
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 N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide (CID 135165456) is N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide is CCN(C)C(=O)CN(C)C/C=C/C(=O)C(C)C.
What is the InChIKey of N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide?
The InChIKey is ODWHGIWLOTUOIE-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-15(5)13(17)10-14(4)9-7-8-12(16)11(2)3/h7-8,11H,6,9-10H2,1-5H3/b8-7+.
What are the key properties of N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide?
N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide is sourced from PubChem (CID 135165456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).