[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate

C22H25NO6 — CID 9381311

IUPAC[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)c2ccc([C@H](C)NC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C22H25NO6/c1-14(23-15(2)24)16-5-7-17(8-6-16)20(25)13-29-22(26)11-18-9-10-19(27-3)12-21(18)28-4/h5-10,12,14H,11,13H2,1-4H3,(H,23,24)/t14-/m0/s1
InChIKeyRBZINTXXQYYTBJ-AWEZNQCLSA-N
MW399.44 g/mol
LogP2.87
Rot. Bonds9

About [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate

[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 9381311) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
PubChem CID9381311
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)c2ccc([C@H](C)NC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C22H25NO6/c1-14(23-15(2)24)16-5-7-17(8-6-16)20(25)13-29-22(26)11-18-9-10-19(27-3)12-21(18)28-4/h5-10,12,14H,11,13H2,1-4H3,(H,23,24)/t14-/m0/s1
InChIKeyRBZINTXXQYYTBJ-AWEZNQCLSA-N
XLogP2.87
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate with MolForge

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Related Compounds

[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8732609
[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 9478773
2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26958270
[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
CID 9473965
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 46418763
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385283
[2-[4-(1-acetamidoethyl)phenyl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 47013909
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8666138
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetate
CID 9477176
N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide
CID 31804797
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9029412

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate (CID 9381311) is [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)c2ccc([C@H](C)NC(C)=O)cc2)c(OC)c1.
What is the InChIKey of [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is RBZINTXXQYYTBJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H25NO6/c1-14(23-15(2)24)16-5-7-17(8-6-16)20(25)13-29-22(26)11-18-9-10-19(27-3)12-21(18)28-4/h5-10,12,14H,11,13H2,1-4H3,(H,23,24)/t14-/m0/s1.
What are the key properties of [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate has a molecular weight of 399.44 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 9381311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).