(E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide

C18H27NO2 — CID 134918040

IUPAC(E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide
SMILESCCCCCCNC(=O)C(/C=C/c1ccccc1)OCC
InChIInChI=1S/C18H27NO2/c1-3-5-6-10-15-19-18(20)17(21-4-2)14-13-16-11-8-7-9-12-16/h7-9,11-14,17H,3-6,10,15H2,1-2H3,(H,19,20)/b14-13+
InChIKeyGSPFRBAFZJJEHG-BUHFOSPRSA-N
MW289.42 g/mol
LogP3.80
Rot. Bonds10

About (E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide

(E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide (PubChem CID 134918040) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide
PubChem CID134918040
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide
SMILESCCCCCCNC(=O)C(/C=C/c1ccccc1)OCC
InChIInChI=1S/C18H27NO2/c1-3-5-6-10-15-19-18(20)17(21-4-2)14-13-16-11-8-7-9-12-16/h7-9,11-14,17H,3-6,10,15H2,1-2H3,(H,19,20)/b14-13+
InChIKeyGSPFRBAFZJJEHG-BUHFOSPRSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylamino)-2-oxoethyl (2E)-3-phenylprop-2-enoate
CID 2355331
[2-(Benzylamino)-2-oxoethyl] 2-methylprop-2-enoate
CID 2447792
2,2-Dimethyl-5-(2-phenylethenyl)-4-oxazolidinone
CID 68936
2-Hydroxy-n-(2-phenylethyl)propanamide
CID 223430
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2366888
[2-oxo-2-(propylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2413673
2-(cyclohexylamino)-2-oxoethyl (2E)-3-phenylprop-2-enoate
CID 2509328
4-O-[2-(benzylamino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 6393417
(5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide
CID 16725169
[2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate
CID 118706168
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 25162572
[2-(cycloheptylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 6219683

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide?
The IUPAC name of (E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide (CID 134918040) is (E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide?
The canonical SMILES for (E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide is CCCCCCNC(=O)C(/C=C/c1ccccc1)OCC.
What is the InChIKey of (E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide?
The InChIKey is GSPFRBAFZJJEHG-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-5-6-10-15-19-18(20)17(21-4-2)14-13-16-11-8-7-9-12-16/h7-9,11-14,17H,3-6,10,15H2,1-2H3,(H,19,20)/b14-13+.
What are the key properties of (E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide?
(E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide has a molecular weight of 289.42 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethoxy-N-hexyl-4-phenylbut-3-enamide is sourced from PubChem (CID 134918040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).