N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide

C25H25NO4 — CID 7950524

IUPACN-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-19(27)24(16-20-8-4-2-5-9-20)26-25(28)18-30-23-14-12-22(13-15-23)29-17-21-10-6-3-7-11-21/h2-15,24H,16-18H2,1H3,(H,26,28)/t24-/m1/s1
InChIKeyMRTOXMRVXSIIDW-XMMPIXPASA-N
MW403.48 g/mol
LogP3.96
Rot. Bonds10

About N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide

N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 7950524) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID7950524
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC NameN-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-19(27)24(16-20-8-4-2-5-9-20)26-25(28)18-30-23-14-12-22(13-15-23)29-17-21-10-6-3-7-11-21/h2-15,24H,16-18H2,1H3,(H,26,28)/t24-/m1/s1
InChIKeyMRTOXMRVXSIIDW-XMMPIXPASA-N
XLogP3.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylphenoxy)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7763916
2-(4-fluorophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7818065
(3S)-3-(methylamino)-4-(4-phenylmethoxyphenyl)butan-2-one
CID 58904369
2-[[2-(4-acetyloxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 23218299
methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate
CID 9277684
(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
(2S)-2-[(2-iodoacetyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 58683370
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-propoxybenzoate
CID 7211954
2-(3-nitrophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7865569
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-propoxybenzoate
CID 7211953
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923894

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide (CID 7950524) is N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide is CC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is MRTOXMRVXSIIDW-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25NO4/c1-19(27)24(16-20-8-4-2-5-9-20)26-25(28)18-30-23-14-12-22(13-15-23)29-17-21-10-6-3-7-11-21/h2-15,24H,16-18H2,1H3,(H,26,28)/t24-/m1/s1.
What are the key properties of N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide?
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 403.48 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 7950524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).