[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate

C21H22N2O6 — CID 9473965

IUPAC[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
SMILESCC(=O)N[C@H](C)c1ccc(C(=O)COC(=O)COc2ccccc2C(N)=O)cc1
InChIInChI=1S/C21H22N2O6/c1-13(23-14(2)24)15-7-9-16(10-8-15)18(25)11-29-20(26)12-28-19-6-4-3-5-17(19)21(22)27/h3-10,13H,11-12H2,1-2H3,(H2,22,27)(H,23,24)/t13-/m1/s1
InChIKeyKQKBSAMMIOLVAB-CYBMUJFWSA-N
MW398.42 g/mol
LogP1.79
Rot. Bonds9

About [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate

[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate (PubChem CID 9473965) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate.

Molecular Properties

Compound Name[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
PubChem CID9473965
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
SMILESCC(=O)N[C@H](C)c1ccc(C(=O)COC(=O)COc2ccccc2C(N)=O)cc1
InChIInChI=1S/C21H22N2O6/c1-13(23-14(2)24)15-7-9-16(10-8-15)18(25)11-29-20(26)12-28-19-6-4-3-5-17(19)21(22)27/h3-10,13H,11-12H2,1-2H3,(H2,22,27)(H,23,24)/t13-/m1/s1
InChIKeyKQKBSAMMIOLVAB-CYBMUJFWSA-N
XLogP1.79
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
CID 9473896
2-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7199656
2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide
CID 7283926
2-phenacyloxybenzamide
CID 43218588
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
[2-(furan-3-yl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
CID 166385969
N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide
CID 31804797
propan-2-yl 2-(2-carbamoylphenoxy)acetate
CID 24633131
2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide
CID 78789436
4-[(1R)-1-acetamidoethyl]benzamide
CID 175730971
2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide
CID 106217638

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate?
The IUPAC name of [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate (CID 9473965) is [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate.
What is the SMILES notation for [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate?
The canonical SMILES for [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate is CC(=O)N[C@H](C)c1ccc(C(=O)COC(=O)COc2ccccc2C(N)=O)cc1.
What is the InChIKey of [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate?
The InChIKey is KQKBSAMMIOLVAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-13(23-14(2)24)15-7-9-16(10-8-15)18(25)11-29-20(26)12-28-19-6-4-3-5-17(19)21(22)27/h3-10,13H,11-12H2,1-2H3,(H2,22,27)(H,23,24)/t13-/m1/s1.
What are the key properties of [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate?
[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate has a molecular weight of 398.42 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate is sourced from PubChem (CID 9473965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).