3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide

C11H21NO2 — CID 103021025

IUPAC3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide
SMILESC/C=C/CCNC(=O)CC(C)(C)OC
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-12-10(13)9-11(2,3)14-4/h5-6H,7-9H2,1-4H3,(H,12,13)/b6-5+
InChIKeyWIYBUJHFNKYIRK-AATRIKPKSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds6

About 3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide

3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide (PubChem CID 103021025) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide
PubChem CID103021025
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide
SMILESC/C=C/CCNC(=O)CC(C)(C)OC
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-12-10(13)9-11(2,3)14-4/h5-6H,7-9H2,1-4H3,(H,12,13)/b6-5+
InChIKeyWIYBUJHFNKYIRK-AATRIKPKSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide?
The IUPAC name of 3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide (CID 103021025) is 3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide is C/C=C/CCNC(=O)CC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide?
The InChIKey is WIYBUJHFNKYIRK-AATRIKPKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-8-12-10(13)9-11(2,3)14-4/h5-6H,7-9H2,1-4H3,(H,12,13)/b6-5+.
What are the key properties of 3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide?
3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide 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 3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide is sourced from PubChem (CID 103021025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).