[1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate

C20H23NO5 — CID 24557467

IUPAC[1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate
SMILESCCC(OC(=O)COc1ccccc1OC)C(=O)NCc1ccccc1
InChIInChI=1S/C20H23NO5/c1-3-16(20(23)21-13-15-9-5-4-6-10-15)26-19(22)14-25-18-12-8-7-11-17(18)24-2/h4-12,16H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyHFEOTYUQODGBCH-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.71
Rot. Bonds9

About [1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate

[1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate (PubChem CID 24557467) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate
PubChem CID24557467
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate
SMILESCCC(OC(=O)COc1ccccc1OC)C(=O)NCc1ccccc1
InChIInChI=1S/C20H23NO5/c1-3-16(20(23)21-13-15-9-5-4-6-10-15)26-19(22)14-25-18-12-8-7-11-17(18)24-2/h4-12,16H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyHFEOTYUQODGBCH-UHFFFAOYSA-N
XLogP2.71
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(benzylamino)-1-oxobutan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 24557637
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
[1-(benzylamino)-1-oxobutan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 24557428
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
[1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate
CID 42968779
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 55419304
[3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 8879306
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854087
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46678709
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981

Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate (CID 24557467) is [1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate is CCC(OC(=O)COc1ccccc1OC)C(=O)NCc1ccccc1.
What is the InChIKey of [1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is HFEOTYUQODGBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-16(20(23)21-13-15-9-5-4-6-10-15)26-19(22)14-25-18-12-8-7-11-17(18)24-2/h4-12,16H,3,13-14H2,1-2H3,(H,21,23).
What are the key properties of [1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate?
[1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 357.41 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-1-oxobutan-2-yl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 24557467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).