N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide

C26H50N2O2 — CID 138470318

IUPACN-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide
SMILESC=CC(=O)NCCCCCCCCCCCCCCCCCC.C=CN(C)C(C)=O
InChIInChI=1S/C21H41NO.C5H9NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2;1-4-6(3)5(2)7/h4H,2-3,5-20H2,1H3,(H,22,23);4H,1H2,2-3H3
InChIKeyJOEKVMLNMVMZJW-UHFFFAOYSA-N
MW422.70 g/mol
LogP7.16
Rot. Bonds19

About N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide

N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide (PubChem CID 138470318) has the molecular formula C26H50N2O2 and a molecular weight of 422.70 g/mol. Its IUPAC name is N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide.

Molecular Properties

Compound NameN-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide
PubChem CID138470318
Molecular FormulaC26H50N2O2
Molecular Weight422.70 g/mol
Exact Mass422.39
IUPAC NameN-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide
SMILESC=CC(=O)NCCCCCCCCCCCCCCCCCC.C=CN(C)C(C)=O
InChIInChI=1S/C21H41NO.C5H9NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2;1-4-6(3)5(2)7/h4H,2-3,5-20H2,1H3,(H,22,23);4H,1H2,2-3H3
InChIKeyJOEKVMLNMVMZJW-UHFFFAOYSA-N
XLogP7.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-heptadecylprop-2-enamide
CID 20727742
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[2-(octadecylamino)ethyl]prop-2-enamide;hydrobromide
CID 175049949
bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide
CID 173363962
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
butane;N-decyl-2-methylprop-2-enamide;N-decylprop-2-enamide;N-dodecyl-2-methylprop-2-enamide;N-dodecylprop-2-enamide;ethane;methane;2-methyl-N-nonylprop-2-enamide;2-methyl-N-octylprop-2-enamide;2-methyl-N-undecylprop-2-enamide;N-nonylprop-2-enamide;N-octylprop-2-enamide;propane;N-undecylprop-2-enamide
CID 159543173

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide?
The IUPAC name of N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide (CID 138470318) is N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide.
What is the SMILES notation for N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide?
The canonical SMILES for N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide is C=CC(=O)NCCCCCCCCCCCCCCCCCC.C=CN(C)C(C)=O.
What is the InChIKey of N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide?
The InChIKey is JOEKVMLNMVMZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO.C5H9NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2;1-4-6(3)5(2)7/h4H,2-3,5-20H2,1H3,(H,22,23);4H,1H2,2-3H3.
What are the key properties of N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide?
N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide has a molecular weight of 422.70 g/mol, XLogP of 7.16, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide is sourced from PubChem (CID 138470318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).