(E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide

C18H24FNO2 — CID 134030048

IUPAC(E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)NCCCOC1CCCCC1
InChIInChI=1S/C18H24FNO2/c19-17-10-5-4-7-15(17)11-12-18(21)20-13-6-14-22-16-8-2-1-3-9-16/h4-5,7,10-12,16H,1-3,6,8-9,13-14H2,(H,20,21)/b12-11+
InChIKeyADAXDOFRTJFDDQ-VAWYXSNFSA-N
MW305.39 g/mol
LogP3.69
Rot. Bonds7

About (E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide

(E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 134030048) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is (E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID134030048
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name(E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)NCCCOC1CCCCC1
InChIInChI=1S/C18H24FNO2/c19-17-10-5-4-7-15(17)11-12-18(21)20-13-6-14-22-16-8-2-1-3-9-16/h4-5,7,10-12,16H,1-3,6,8-9,13-14H2,(H,20,21)/b12-11+
InChIKeyADAXDOFRTJFDDQ-VAWYXSNFSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
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

(E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 31720256
7-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]heptanoic acid
CID 43240080
8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
CID 89351391
N-[2-(azepan-1-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 123154586
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
(E)-N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide
CID 90264801
(E)-N-(3-cyclohexyloxypropyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 38715561
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide;hydrochloride
CID 158649550
N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide
CID 77009043
(E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide
CID 115344193
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide (CID 134030048) is (E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1F)NCCCOC1CCCCC1.
What is the InChIKey of (E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is ADAXDOFRTJFDDQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H24FNO2/c19-17-10-5-4-7-15(17)11-12-18(21)20-13-6-14-22-16-8-2-1-3-9-16/h4-5,7,10-12,16H,1-3,6,8-9,13-14H2,(H,20,21)/b12-11+.
What are the key properties of (E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 305.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 134030048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).