N-heptadecylprop-2-enamide

C20H39NO — CID 20727742

IUPACN-heptadecylprop-2-enamide
SMILESC=CC(=O)NCCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(22)4-2/h4H,2-3,5-19H2,1H3,(H,21,22)
InChIKeyJXGLRCGVPUNDCM-UHFFFAOYSA-N
MW309.54 g/mol
LogP6.16
Rot. Bonds17

About N-heptadecylprop-2-enamide

N-heptadecylprop-2-enamide (PubChem CID 20727742) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is N-heptadecylprop-2-enamide.

Molecular Properties

Compound NameN-heptadecylprop-2-enamide
PubChem CID20727742
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC NameN-heptadecylprop-2-enamide
SMILESC=CC(=O)NCCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(22)4-2/h4H,2-3,5-19H2,1H3,(H,21,22)
InChIKeyJXGLRCGVPUNDCM-UHFFFAOYSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
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
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964
N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide
CID 138470318
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
N-[4-(propylamino)butyl]prop-2-enamide
CID 87503940
N-butylprop-2-enamide;N-ethylethanamine
CID 22596658

Frequently Asked Questions

What is the IUPAC name of N-heptadecylprop-2-enamide?
The IUPAC name of N-heptadecylprop-2-enamide (CID 20727742) is N-heptadecylprop-2-enamide.
What is the SMILES notation for N-heptadecylprop-2-enamide?
The canonical SMILES for N-heptadecylprop-2-enamide is C=CC(=O)NCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-heptadecylprop-2-enamide?
The InChIKey is JXGLRCGVPUNDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(22)4-2/h4H,2-3,5-19H2,1H3,(H,21,22).
What are the key properties of N-heptadecylprop-2-enamide?
N-heptadecylprop-2-enamide has a molecular weight of 309.54 g/mol, XLogP of 6.16, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptadecylprop-2-enamide is sourced from PubChem (CID 20727742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).