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

C23H28FNO4 — CID 58115530

IUPACN-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
SMILESCOC[C@@H](NC(C)=O)C(=O)CCc1ccc(CCCOc2cccc(F)c2)cc1
InChIInChI=1S/C23H28FNO4/c1-17(26)25-22(16-28-2)23(27)13-12-19-10-8-18(9-11-19)5-4-14-29-21-7-3-6-20(24)15-21/h3,6-11,15,22H,4-5,12-14,16H2,1-2H3,(H,25,26)/t22-/m1/s1
InChIKeyDCLJFYPDLPAEOA-JOCHJYFZSA-N
MW401.48 g/mol
LogP3.49
Rot. Bonds12

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

N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide (PubChem CID 58115530) has the molecular formula C23H28FNO4 and a molecular weight of 401.48 g/mol. Its IUPAC name is N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
PubChem CID58115530
Molecular FormulaC23H28FNO4
Molecular Weight401.48 g/mol
Exact Mass401.20
IUPAC NameN-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
SMILESCOC[C@@H](NC(C)=O)C(=O)CCc1ccc(CCCOc2cccc(F)c2)cc1
InChIInChI=1S/C23H28FNO4/c1-17(26)25-22(16-28-2)23(27)13-12-19-10-8-18(9-11-19)5-4-14-29-21-7-3-6-20(24)15-21/h3,6-11,15,22H,4-5,12-14,16H2,1-2H3,(H,25,26)/t22-/m1/s1
InChIKeyDCLJFYPDLPAEOA-JOCHJYFZSA-N
XLogP3.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide
CID 75044819
N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
CID 123667708
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
(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
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
4-[3-(3-fluorophenoxy)propyl]aniline
CID 113384386
(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
N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide
CID 58115485
4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665
2-acetamido-N-[[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide
CID 75044765

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
The IUPAC name of N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide (CID 58115530) is N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide is COC[C@@H](NC(C)=O)C(=O)CCc1ccc(CCCOc2cccc(F)c2)cc1.
What is the InChIKey of N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
The InChIKey is DCLJFYPDLPAEOA-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28FNO4/c1-17(26)25-22(16-28-2)23(27)13-12-19-10-8-18(9-11-19)5-4-14-29-21-7-3-6-20(24)15-21/h3,6-11,15,22H,4-5,12-14,16H2,1-2H3,(H,25,26)/t22-/m1/s1.
What are the key properties of N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide?
N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide has a molecular weight of 401.48 g/mol, XLogP of 3.49, 12 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-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide is sourced from PubChem (CID 58115530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).