N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide

C14H25NO2 — CID 102118200

IUPACN-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NOCC/C=C/CCCCCC
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-8-9-10-11-12-17-15-14(16)13(2)3/h9-10H,2,4-8,11-12H2,1,3H3,(H,15,16)/b10-9+
InChIKeyXZRBPEZWUCHWCU-MDZDMXLPSA-N
MW239.36 g/mol
LogP3.53
Rot. Bonds10

About N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide

N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide (PubChem CID 102118200) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
PubChem CID102118200
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NOCC/C=C/CCCCCC
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-8-9-10-11-12-17-15-14(16)13(2)3/h9-10H,2,4-8,11-12H2,1,3H3,(H,15,16)/b10-9+
InChIKeyXZRBPEZWUCHWCU-MDZDMXLPSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.53
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide
CID 102118191
2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide
CID 102118207
2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide
CID 102118170
N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide
CID 102118177
2-methyl-N-undec-10-enoxyprop-2-enamide
CID 102118216
[(Z)-octadec-9-enyl] 2-methylprop-2-enoate
CID 6436390
2-methyl-N-undec-1-enylprop-2-enamide
CID 91243426
[(9Z,12Z)-octadeca-9,12-dienyl] 2-methylprop-2-enoate
CID 86733419
hexadec-8-enyl acetate
CID 538136
octadec-8-enyl acetate
CID 538134
[(8Z)-tetradeca-3,8-dienyl] acetate
CID 175829151
[(Z)-icos-11-enyl] acetate
CID 11493805

Frequently Asked Questions

What is the IUPAC name of N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide?
The IUPAC name of N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide (CID 102118200) is N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide.
What is the SMILES notation for N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide?
The canonical SMILES for N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide is C=C(C)C(=O)NOCC/C=C/CCCCCC.
What is the InChIKey of N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide?
The InChIKey is XZRBPEZWUCHWCU-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-6-7-8-9-10-11-12-17-15-14(16)13(2)3/h9-10H,2,4-8,11-12H2,1,3H3,(H,15,16)/b10-9+.
What are the key properties of N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide?
N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide has a molecular weight of 239.36 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide is sourced from PubChem (CID 102118200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).