2-hexylnon-2-enamide;prop-2-enoic acid

C18H33NO3 — CID 174868257

IUPAC2-hexylnon-2-enamide;prop-2-enoic acid
SMILESC=CC(=O)O.CCCCCCC=C(CCCCCC)C(N)=O
InChIInChI=1S/C15H29NO.C3H4O2/c1-3-5-7-9-11-13-14(15(16)17)12-10-8-6-4-2;1-2-3(4)5/h13H,3-12H2,1-2H3,(H2,16,17);2H,1H2,(H,4,5)
InChIKeyLONMDLVAKUFMLO-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.60
Rot. Bonds12

About 2-hexylnon-2-enamide;prop-2-enoic acid

2-hexylnon-2-enamide;prop-2-enoic acid (PubChem CID 174868257) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-hexylnon-2-enamide;prop-2-enoic acid.

Molecular Properties

Compound Name2-hexylnon-2-enamide;prop-2-enoic acid
PubChem CID174868257
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name2-hexylnon-2-enamide;prop-2-enoic acid
SMILESC=CC(=O)O.CCCCCCC=C(CCCCCC)C(N)=O
InChIInChI=1S/C15H29NO.C3H4O2/c1-3-5-7-9-11-13-14(15(16)17)12-10-8-6-4-2;1-2-3(4)5/h13H,3-12H2,1-2H3,(H2,16,17);2H,1H2,(H,4,5)
InChIKeyLONMDLVAKUFMLO-UHFFFAOYSA-N
XLogP4.60
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
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

2-dodecylpentadec-2-enamide
CID 173002797
2-nonylidenedodecanediamide
CID 154630805
2-hexylidenehexanediamide
CID 140969893
octyl 2-butylpentadec-2-enoate;bis(prop-2-enoic acid)
CID 88771255
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octylundec-2-enoic acid
CID 87266721
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
2-methylpentacos-2-enoic acid;prop-2-enoic acid
CID 158192542
2-[3-(butylamino)propylidene]decanamide
CID 174854372
(Z)-2-hydroxyoctadec-2-enamide
CID 166667258
octadecanoic acid;bis(prop-2-enoic acid);zinc
CID 173129108

Frequently Asked Questions

What is the IUPAC name of 2-hexylnon-2-enamide;prop-2-enoic acid?
The IUPAC name of 2-hexylnon-2-enamide;prop-2-enoic acid (CID 174868257) is 2-hexylnon-2-enamide;prop-2-enoic acid.
What is the SMILES notation for 2-hexylnon-2-enamide;prop-2-enoic acid?
The canonical SMILES for 2-hexylnon-2-enamide;prop-2-enoic acid is C=CC(=O)O.CCCCCCC=C(CCCCCC)C(N)=O.
What is the InChIKey of 2-hexylnon-2-enamide;prop-2-enoic acid?
The InChIKey is LONMDLVAKUFMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO.C3H4O2/c1-3-5-7-9-11-13-14(15(16)17)12-10-8-6-4-2;1-2-3(4)5/h13H,3-12H2,1-2H3,(H2,16,17);2H,1H2,(H,4,5).
What are the key properties of 2-hexylnon-2-enamide;prop-2-enoic acid?
2-hexylnon-2-enamide;prop-2-enoic acid has a molecular weight of 311.47 g/mol, XLogP of 4.60, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylnon-2-enamide;prop-2-enoic acid is sourced from PubChem (CID 174868257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).