3-hexyl-2-propylnon-2-enamide

C18H35NO — CID 174472845

IUPAC3-hexyl-2-propylnon-2-enamide
SMILESCCCCCCC(CCCCCC)=C(CCC)C(N)=O
InChIInChI=1S/C18H35NO/c1-4-7-9-11-14-16(15-12-10-8-5-2)17(13-6-3)18(19)20/h4-15H2,1-3H3,(H2,19,20)
InChIKeyXUSXETLTAAAYKH-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.51
Rot. Bonds13

About 3-hexyl-2-propylnon-2-enamide

3-hexyl-2-propylnon-2-enamide (PubChem CID 174472845) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 3-hexyl-2-propylnon-2-enamide.

Molecular Properties

Compound Name3-hexyl-2-propylnon-2-enamide
PubChem CID174472845
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name3-hexyl-2-propylnon-2-enamide
SMILESCCCCCCC(CCCCCC)=C(CCC)C(N)=O
InChIInChI=1S/C18H35NO/c1-4-7-9-11-14-16(15-12-10-8-5-2)17(13-6-3)18(19)20/h4-15H2,1-3H3,(H2,19,20)
InChIKeyXUSXETLTAAAYKH-UHFFFAOYSA-N
XLogP5.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.51
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

(Z)-3-carbamoyl-2-nonyldodec-2-enoic acid
CID 174957233
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
2-ethyl-3-hydroxynon-2-enamide
CID 173008678
(Z)-2-propan-2-yl-3-propylpentadec-2-enamide
CID 140577611
octadecanamide;hydrochloride
CID 87891779
butane;octanamide
CID 87511414
octadecanamide;zinc
CID 87169213
9,10-dioctyloctadec-9-ene
CID 10814462
(Z)-2,3-bis(2-hydroxyethyl)dodec-2-enediamide
CID 87141414
3-(2-aminoethyl)-2-hexyloct-2-enoic acid
CID 154478016

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-propylnon-2-enamide?
The IUPAC name of 3-hexyl-2-propylnon-2-enamide (CID 174472845) is 3-hexyl-2-propylnon-2-enamide.
What is the SMILES notation for 3-hexyl-2-propylnon-2-enamide?
The canonical SMILES for 3-hexyl-2-propylnon-2-enamide is CCCCCCC(CCCCCC)=C(CCC)C(N)=O.
What is the InChIKey of 3-hexyl-2-propylnon-2-enamide?
The InChIKey is XUSXETLTAAAYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-7-9-11-14-16(15-12-10-8-5-2)17(13-6-3)18(19)20/h4-15H2,1-3H3,(H2,19,20).
What are the key properties of 3-hexyl-2-propylnon-2-enamide?
3-hexyl-2-propylnon-2-enamide has a molecular weight of 281.48 g/mol, XLogP of 5.51, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-propylnon-2-enamide is sourced from PubChem (CID 174472845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).