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

C12H23NO2 — CID 156566704

IUPAC2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide
SMILESCCCOC/C=C/CCNC(=O)C(C)C
InChIInChI=1S/C12H23NO2/c1-4-9-15-10-7-5-6-8-13-12(14)11(2)3/h5,7,11H,4,6,8-10H2,1-3H3,(H,13,14)/b7-5+
InChIKeySJKGZZOPUSPIKI-FNORWQNLSA-N
MW213.32 g/mol
LogP2.13
Rot. Bonds8

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

2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide (PubChem CID 156566704) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide
PubChem CID156566704
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide
SMILESCCCOC/C=C/CCNC(=O)C(C)C
InChIInChI=1S/C12H23NO2/c1-4-9-15-10-7-5-6-8-13-12(14)11(2)3/h5,7,11H,4,6,8-10H2,1-3H3,(H,13,14)/b7-5+
InChIKeySJKGZZOPUSPIKI-FNORWQNLSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.13
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-propoxypent-3-enyl]propanamide?
The IUPAC name of 2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide (CID 156566704) is 2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide?
The canonical SMILES for 2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide is CCCOC/C=C/CCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide?
The InChIKey is SJKGZZOPUSPIKI-FNORWQNLSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-9-15-10-7-5-6-8-13-12(14)11(2)3/h5,7,11H,4,6,8-10H2,1-3H3,(H,13,14)/b7-5+.
What are the key properties of 2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide?
2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide has a molecular weight of 213.32 g/mol, XLogP of 2.13, 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-propoxypent-3-enyl]propanamide is sourced from PubChem (CID 156566704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).