2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide

C13H25NO2 — CID 153306559

IUPAC2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide
SMILESCC(C)COC/C=C/CCNC(=O)C(C)C
InChIInChI=1S/C13H25NO2/c1-11(2)10-16-9-7-5-6-8-14-13(15)12(3)4/h5,7,11-12H,6,8-10H2,1-4H3,(H,14,15)/b7-5+
InChIKeyQLXLBQRRGJBZHW-FNORWQNLSA-N
MW227.35 g/mol
LogP2.38
Rot. Bonds8

About 2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide

2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide (PubChem CID 153306559) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide
PubChem CID153306559
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide
SMILESCC(C)COC/C=C/CCNC(=O)C(C)C
InChIInChI=1S/C13H25NO2/c1-11(2)10-16-9-7-5-6-8-14-13(15)12(3)4/h5,7,11-12H,6,8-10H2,1-4H3,(H,14,15)/b7-5+
InChIKeyQLXLBQRRGJBZHW-FNORWQNLSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.38
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 2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide?
The IUPAC name of 2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide (CID 153306559) is 2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide?
The canonical SMILES for 2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide is CC(C)COC/C=C/CCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide?
The InChIKey is QLXLBQRRGJBZHW-FNORWQNLSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)10-16-9-7-5-6-8-14-13(15)12(3)4/h5,7,11-12H,6,8-10H2,1-4H3,(H,14,15)/b7-5+.
What are the key properties of 2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide?
2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide has a molecular weight of 227.35 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide is sourced from PubChem (CID 153306559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).