(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide

C11H19NO3 — CID 166975343

IUPAC(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide
SMILESCCOCCNC(=O)/C=C/C(=O)C(C)C
InChIInChI=1S/C11H19NO3/c1-4-15-8-7-12-11(14)6-5-10(13)9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,12,14)/b6-5+
InChIKeyFBPCMBCFBTZSNO-AATRIKPKSA-N
MW213.28 g/mol
LogP0.92
Rot. Bonds7

About (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide

(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide (PubChem CID 166975343) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide
PubChem CID166975343
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide
SMILESCCOCCNC(=O)/C=C/C(=O)C(C)C
InChIInChI=1S/C11H19NO3/c1-4-15-8-7-12-11(14)6-5-10(13)9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,12,14)/b6-5+
InChIKeyFBPCMBCFBTZSNO-AATRIKPKSA-N
XLogP0.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide?
The IUPAC name of (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide (CID 166975343) is (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide.
What is the SMILES notation for (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide?
The canonical SMILES for (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide is CCOCCNC(=O)/C=C/C(=O)C(C)C.
What is the InChIKey of (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide?
The InChIKey is FBPCMBCFBTZSNO-AATRIKPKSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-15-8-7-12-11(14)6-5-10(13)9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,12,14)/b6-5+.
What are the key properties of (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide?
(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide has a molecular weight of 213.28 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide is sourced from PubChem (CID 166975343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).