2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide

C12H23NO3 — CID 126583407

IUPAC2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide
SMILESC/C=C/N(CCCOC)C(=O)C(C)(C)OC
InChIInChI=1S/C12H23NO3/c1-6-8-13(9-7-10-15-4)11(14)12(2,3)16-5/h6,8H,7,9-10H2,1-5H3/b8-6+
InChIKeyJWNYAFOXUBAICZ-SOFGYWHQSA-N
MW229.32 g/mol
LogP1.81
Rot. Bonds7

About 2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide

2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide (PubChem CID 126583407) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide
PubChem CID126583407
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide
SMILESC/C=C/N(CCCOC)C(=O)C(C)(C)OC
InChIInChI=1S/C12H23NO3/c1-6-8-13(9-7-10-15-4)11(14)12(2,3)16-5/h6,8H,7,9-10H2,1-5H3/b8-6+
InChIKeyJWNYAFOXUBAICZ-SOFGYWHQSA-N
XLogP1.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide?
The IUPAC name of 2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide (CID 126583407) is 2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide.
What is the SMILES notation for 2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide?
The canonical SMILES for 2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide is C/C=C/N(CCCOC)C(=O)C(C)(C)OC.
What is the InChIKey of 2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide?
The InChIKey is JWNYAFOXUBAICZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-8-13(9-7-10-15-4)11(14)12(2,3)16-5/h6,8H,7,9-10H2,1-5H3/b8-6+.
What are the key properties of 2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide?
2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide has a molecular weight of 229.32 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methoxypropyl)-2-methyl-N-[(E)-prop-1-enyl]propanamide is sourced from PubChem (CID 126583407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).