2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide

C15H27NO2 — CID 102118207

IUPAC2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide
SMILESC=C(C)C(=O)NO/C=C/CCCCCCCCC
InChIInChI=1S/C15H27NO2/c1-4-5-6-7-8-9-10-11-12-13-18-16-15(17)14(2)3/h12-13H,2,4-11H2,1,3H3,(H,16,17)/b13-12+
InChIKeyVHGRZQXQZGRYCS-OUKQBFOZSA-N
MW253.39 g/mol
LogP4.26
Rot. Bonds11

About 2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide

2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide (PubChem CID 102118207) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide
PubChem CID102118207
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide
SMILESC=C(C)C(=O)NO/C=C/CCCCCCCCC
InChIInChI=1S/C15H27NO2/c1-4-5-6-7-8-9-10-11-12-13-18-16-15(17)14(2)3/h12-13H,2,4-11H2,1,3H3,(H,16,17)/b13-12+
InChIKeyVHGRZQXQZGRYCS-OUKQBFOZSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide
CID 102118177
2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide
CID 102118191
N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
CID 102118200
2-methyl-N-undec-1-enylprop-2-enamide
CID 91243426
2-methyl-N-tetracosa-1,3-dienylprop-2-enamide
CID 163255501
[(Z)-octadec-9-enyl] 2-methylprop-2-enoate
CID 6436390
N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide
CID 163255517
[(E)-hexadec-1-enyl] acetate
CID 5376351
N-ethenoxy-2-methylprop-2-enamide
CID 102118163
[(1Z,9Z)-hexadeca-1,9-dienyl] acetate
CID 175213059
[(1E,8Z)-tetradeca-1,8-dienyl] acetate
CID 11708627
[(9Z,12Z)-octadeca-9,12-dienyl] 2-methylprop-2-enoate
CID 86733419

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide?
The IUPAC name of 2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide (CID 102118207) is 2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide is C=C(C)C(=O)NO/C=C/CCCCCCCCC.
What is the InChIKey of 2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide?
The InChIKey is VHGRZQXQZGRYCS-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-5-6-7-8-9-10-11-12-13-18-16-15(17)14(2)3/h12-13H,2,4-11H2,1,3H3,(H,16,17)/b13-12+.
What are the key properties of 2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide?
2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide has a molecular weight of 253.39 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide is sourced from PubChem (CID 102118207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).