(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

C15H18FNO2 — CID 102684272

IUPAC(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)N(CCO)C1CCC1
InChIInChI=1S/C15H18FNO2/c16-13-7-4-12(5-8-13)6-9-15(19)17(10-11-18)14-2-1-3-14/h4-9,14,18H,1-3,10-11H2/b9-6+
InChIKeyDLSRKHNIIDRVGI-RMKNXTFCSA-N
MW263.31 g/mol
LogP2.21
Rot. Bonds5

About (E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 102684272) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID102684272
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)N(CCO)C1CCC1
InChIInChI=1S/C15H18FNO2/c16-13-7-4-12(5-8-13)6-9-15(19)17(10-11-18)14-2-1-3-14/h4-9,14,18H,1-3,10-11H2/b9-6+
InChIKeyDLSRKHNIIDRVGI-RMKNXTFCSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43577305
(E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide
CID 102861644
(E)-3-(3-cyanophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)prop-2-enamide
CID 102684445
(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
CID 43577307
(E)-N-cyclobutyl-3-(2,3-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684628
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
(E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide
CID 55377955
(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide
CID 102684933
(E)-N-(1,1-dioxothiolan-3-yl)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 6224010
3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide
CID 77002821
(E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide
CID 43577156
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2381526

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (CID 102684272) is (E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)N(CCO)C1CCC1.
What is the InChIKey of (E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is DLSRKHNIIDRVGI-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-13-7-4-12(5-8-13)6-9-15(19)17(10-11-18)14-2-1-3-14/h4-9,14,18H,1-3,10-11H2/b9-6+.
What are the key properties of (E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 263.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 102684272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).