N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide

C22H24FNO3 — CID 123667708

IUPACN-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
SMILESCOC[C@@H](NC(C)=O)C(=O)CCc1ccc(C=Cc2cccc(F)c2)cc1
InChIInChI=1S/C22H24FNO3/c1-16(25)24-21(15-27-2)22(26)13-12-18-8-6-17(7-9-18)10-11-19-4-3-5-20(23)14-19/h3-11,14,21H,12-13,15H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyZRZDZVBZXXYBKA-OAQYLSRUSA-N
MW369.44 g/mol
LogP3.65
Rot. Bonds9

About N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide

N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide (PubChem CID 123667708) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
PubChem CID123667708
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC NameN-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
SMILESCOC[C@@H](NC(C)=O)C(=O)CCc1ccc(C=Cc2cccc(F)c2)cc1
InChIInChI=1S/C22H24FNO3/c1-16(25)24-21(15-27-2)22(26)13-12-18-8-6-17(7-9-18)10-11-19-4-3-5-20(23)14-19/h3-11,14,21H,12-13,15H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyZRZDZVBZXXYBKA-OAQYLSRUSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
CID 58115530
(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
CID 44538364
2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473
2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide
CID 75044819
(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide
CID 44538367
[(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea
CID 157112408
[2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate
CID 91418550
3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 51725488
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
2-acetamido-N-[[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide
CID 75044765
N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide
CID 146894661
N-[(2R)-5-[4-[difluoro-(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[[(3-fluorophenyl)methylamino]methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenyl)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
CID 160746035

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
The IUPAC name of N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide (CID 123667708) is N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide is COC[C@@H](NC(C)=O)C(=O)CCc1ccc(C=Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
The InChIKey is ZRZDZVBZXXYBKA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-16(25)24-21(15-27-2)22(26)13-12-18-8-6-17(7-9-18)10-11-19-4-3-5-20(23)14-19/h3-11,14,21H,12-13,15H2,1-2H3,(H,24,25)/t21-/m1/s1.
What are the key properties of N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide has a molecular weight of 369.44 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide is sourced from PubChem (CID 123667708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).