(E)-N-dodecyl-2-propylhex-2-enamide

C21H41NO — CID 102089072

IUPAC(E)-N-dodecyl-2-propylhex-2-enamide
SMILESCCC/C=C(\CCC)C(=O)NCCCCCCCCCCCC
InChIInChI=1S/C21H41NO/c1-4-7-9-10-11-12-13-14-15-16-19-22-21(23)20(17-6-3)18-8-5-2/h18H,4-17,19H2,1-3H3,(H,22,23)/b20-18+
InChIKeyORXWJVGOXJQFND-CZIZESTLSA-N
MW323.57 g/mol
LogP6.55
Rot. Bonds16

About (E)-N-dodecyl-2-propylhex-2-enamide

(E)-N-dodecyl-2-propylhex-2-enamide (PubChem CID 102089072) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is (E)-N-dodecyl-2-propylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-dodecyl-2-propylhex-2-enamide
PubChem CID102089072
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name(E)-N-dodecyl-2-propylhex-2-enamide
SMILESCCC/C=C(\CCC)C(=O)NCCCCCCCCCCCC
InChIInChI=1S/C21H41NO/c1-4-7-9-10-11-12-13-14-15-16-19-22-21(23)20(17-6-3)18-8-5-2/h18H,4-17,19H2,1-3H3,(H,22,23)/b20-18+
InChIKeyORXWJVGOXJQFND-CZIZESTLSA-N
XLogP6.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 56.55
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

N,N'-diheptyloxamide
CID 3417538
N-tetradecylpentanamide
CID 87172595
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
2-oxo-N-tetradecyloctadecanamide
CID 87948435
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of (E)-N-dodecyl-2-propylhex-2-enamide?
The IUPAC name of (E)-N-dodecyl-2-propylhex-2-enamide (CID 102089072) is (E)-N-dodecyl-2-propylhex-2-enamide.
What is the SMILES notation for (E)-N-dodecyl-2-propylhex-2-enamide?
The canonical SMILES for (E)-N-dodecyl-2-propylhex-2-enamide is CCC/C=C(\CCC)C(=O)NCCCCCCCCCCCC.
What is the InChIKey of (E)-N-dodecyl-2-propylhex-2-enamide?
The InChIKey is ORXWJVGOXJQFND-CZIZESTLSA-N. The full InChI is InChI=1S/C21H41NO/c1-4-7-9-10-11-12-13-14-15-16-19-22-21(23)20(17-6-3)18-8-5-2/h18H,4-17,19H2,1-3H3,(H,22,23)/b20-18+.
What are the key properties of (E)-N-dodecyl-2-propylhex-2-enamide?
(E)-N-dodecyl-2-propylhex-2-enamide has a molecular weight of 323.57 g/mol, XLogP of 6.55, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-dodecyl-2-propylhex-2-enamide is sourced from PubChem (CID 102089072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).