N-ethyl-4-methyl-2-propoxypent-4-enamide

C11H21NO2 — CID 89093096

IUPACN-ethyl-4-methyl-2-propoxypent-4-enamide
SMILESC=C(C)CC(OCCC)C(=O)NCC
InChIInChI=1S/C11H21NO2/c1-5-7-14-10(8-9(3)4)11(13)12-6-2/h10H,3,5-8H2,1-2,4H3,(H,12,13)
InChIKeyVFKJSWUAAWEWRK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds7

About N-ethyl-4-methyl-2-propoxypent-4-enamide

N-ethyl-4-methyl-2-propoxypent-4-enamide (PubChem CID 89093096) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-propoxypent-4-enamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-propoxypent-4-enamide
PubChem CID89093096
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-ethyl-4-methyl-2-propoxypent-4-enamide
SMILESC=C(C)CC(OCCC)C(=O)NCC
InChIInChI=1S/C11H21NO2/c1-5-7-14-10(8-9(3)4)11(13)12-6-2/h10H,3,5-8H2,1-2,4H3,(H,12,13)
InChIKeyVFKJSWUAAWEWRK-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-propoxypent-4-enamide?
The IUPAC name of N-ethyl-4-methyl-2-propoxypent-4-enamide (CID 89093096) is N-ethyl-4-methyl-2-propoxypent-4-enamide.
What is the SMILES notation for N-ethyl-4-methyl-2-propoxypent-4-enamide?
The canonical SMILES for N-ethyl-4-methyl-2-propoxypent-4-enamide is C=C(C)CC(OCCC)C(=O)NCC.
What is the InChIKey of N-ethyl-4-methyl-2-propoxypent-4-enamide?
The InChIKey is VFKJSWUAAWEWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-7-14-10(8-9(3)4)11(13)12-6-2/h10H,3,5-8H2,1-2,4H3,(H,12,13).
What are the key properties of N-ethyl-4-methyl-2-propoxypent-4-enamide?
N-ethyl-4-methyl-2-propoxypent-4-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-propoxypent-4-enamide is sourced from PubChem (CID 89093096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).