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

C14H18FNO3 — CID 111883336

IUPAC(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
SMILESC/C=C(/C)C(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-3-10(2)14(18)16-8-12(17)9-19-13-6-4-11(15)5-7-13/h3-7,12,17H,8-9H2,1-2H3,(H,16,18)/b10-3-
InChIKeyLIVVJKZDCGYSBG-KMKOMSMNSA-N
MW267.30 g/mol
LogP1.65
Rot. Bonds6

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

(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide (PubChem CID 111883336) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
PubChem CID111883336
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
SMILESC/C=C(/C)C(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-3-10(2)14(18)16-8-12(17)9-19-13-6-4-11(15)5-7-13/h3-7,12,17H,8-9H2,1-2H3,(H,16,18)/b10-3-
InChIKeyLIVVJKZDCGYSBG-KMKOMSMNSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.65
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

2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
(Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide
CID 110912797
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
(E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide
CID 111825354

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide?
The IUPAC name of (Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide (CID 111883336) is (Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide?
The canonical SMILES for (Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide is C/C=C(/C)C(=O)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of (Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide?
The InChIKey is LIVVJKZDCGYSBG-KMKOMSMNSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-10(2)14(18)16-8-12(17)9-19-13-6-4-11(15)5-7-13/h3-7,12,17H,8-9H2,1-2H3,(H,16,18)/b10-3-.
What are the key properties of (Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide?
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide has a molecular weight of 267.30 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide is sourced from PubChem (CID 111883336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).