2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide

C11H21NO2 — CID 21366326

IUPAC2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide
SMILESC=C(C)CC(OCC)C(=O)NC(C)C
InChIInChI=1S/C11H21NO2/c1-6-14-10(7-8(2)3)11(13)12-9(4)5/h9-10H,2,6-7H2,1,3-5H3,(H,12,13)
InChIKeyRDIIMAJHADPIKK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds6

About 2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide

2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide (PubChem CID 21366326) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide
PubChem CID21366326
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide
SMILESC=C(C)CC(OCC)C(=O)NC(C)C
InChIInChI=1S/C11H21NO2/c1-6-14-10(7-8(2)3)11(13)12-9(4)5/h9-10H,2,6-7H2,1,3-5H3,(H,12,13)
InChIKeyRDIIMAJHADPIKK-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide?
The IUPAC name of 2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide (CID 21366326) is 2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for 2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide?
The canonical SMILES for 2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide is C=C(C)CC(OCC)C(=O)NC(C)C.
What is the InChIKey of 2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide?
The InChIKey is RDIIMAJHADPIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-14-10(7-8(2)3)11(13)12-9(4)5/h9-10H,2,6-7H2,1,3-5H3,(H,12,13).
What are the key properties of 2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide?
2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 21366326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).