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

C22H26FNO4 — CID 58115508

IUPACN-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
SMILESCOC[C@@H](NC(C)=O)C(=O)CCc1ccc(COCc2cccc(F)c2)cc1
InChIInChI=1S/C22H26FNO4/c1-16(25)24-21(15-27-2)22(26)11-10-17-6-8-18(9-7-17)13-28-14-19-4-3-5-20(23)12-19/h3-9,12,21H,10-11,13-15H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyBVUBABIXXABQFW-OAQYLSRUSA-N
MW387.45 g/mol
LogP3.20
Rot. Bonds11

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

N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide (PubChem CID 58115508) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
PubChem CID58115508
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC NameN-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
SMILESCOC[C@@H](NC(C)=O)C(=O)CCc1ccc(COCc2cccc(F)c2)cc1
InChIInChI=1S/C22H26FNO4/c1-16(25)24-21(15-27-2)22(26)11-10-17-6-8-18(9-7-17)13-28-14-19-4-3-5-20(23)12-19/h3-9,12,21H,10-11,13-15H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyBVUBABIXXABQFW-OAQYLSRUSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide with MolForge

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Related Compounds

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Z-FA-Fmk
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N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
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Z-Phe-DL-Ala-fluoromethylketone
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Naaa-IN-1
CID 73291988
[4-[4-(trifluoromethyl)phenyl]phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
The IUPAC name of N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide (CID 58115508) is N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide is COC[C@@H](NC(C)=O)C(=O)CCc1ccc(COCc2cccc(F)c2)cc1.
What is the InChIKey of N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
The InChIKey is BVUBABIXXABQFW-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-16(25)24-21(15-27-2)22(26)11-10-17-6-8-18(9-7-17)13-28-14-19-4-3-5-20(23)12-19/h3-9,12,21H,10-11,13-15H2,1-2H3,(H,24,25)/t21-/m1/s1.
What are the key properties of N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide has a molecular weight of 387.45 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide is sourced from PubChem (CID 58115508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).