(Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide

C16H20FNO3 — CID 110912797

IUPAC(Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide
SMILESC/C(=C/C(=O)NCC(O)COc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H20FNO3/c1-11(12-2-3-12)8-16(20)18-9-14(19)10-21-15-6-4-13(17)5-7-15/h4-8,12,14,19H,2-3,9-10H2,1H3,(H,18,20)/b11-8-
InChIKeyCXBWWPWWIDENMH-FLIBITNWSA-N
MW293.34 g/mol
LogP2.04
Rot. Bonds7

About (Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide

(Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide (PubChem CID 110912797) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide
PubChem CID110912797
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name(Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide
SMILESC/C(=C/C(=O)NCC(O)COc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H20FNO3/c1-11(12-2-3-12)8-16(20)18-9-14(19)10-21-15-6-4-13(17)5-7-15/h4-8,12,14,19H,2-3,9-10H2,1H3,(H,18,20)/b11-8-
InChIKeyCXBWWPWWIDENMH-FLIBITNWSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide
CID 110912798
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidine-3-carboxamide
CID 119305008
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111430757
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2,6-dimethylpyridine-3-carboxamide
CID 111110985
1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-(2-propylcyclopropyl)urea
CID 111509435
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide?
The IUPAC name of (Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide (CID 110912797) is (Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide.
What is the SMILES notation for (Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide?
The canonical SMILES for (Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide is C/C(=C/C(=O)NCC(O)COc1ccc(F)cc1)C1CC1.
What is the InChIKey of (Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide?
The InChIKey is CXBWWPWWIDENMH-FLIBITNWSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11(12-2-3-12)8-16(20)18-9-14(19)10-21-15-6-4-13(17)5-7-15/h4-8,12,14,19H,2-3,9-10H2,1H3,(H,18,20)/b11-8-.
What are the key properties of (Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide?
(Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide has a molecular weight of 293.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide is sourced from PubChem (CID 110912797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).