[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate

C22H24N2O5 — CID 2926054

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H24N2O5/c1-2-16-8-10-18(11-9-16)19(25)15-29-22(28)14-24-21(27)13-23-20(26)12-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyKIXBNACUARFRKC-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.45
Rot. Bonds10

About [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate

[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate (PubChem CID 2926054) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
PubChem CID2926054
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H24N2O5/c1-2-16-8-10-18(11-9-16)19(25)15-29-22(28)14-24-21(27)13-23-20(26)12-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyKIXBNACUARFRKC-UHFFFAOYSA-N
XLogP1.45
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate (CID 2926054) is [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate is CCc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The InChIKey is KIXBNACUARFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-2-16-8-10-18(11-9-16)19(25)15-29-22(28)14-24-21(27)13-23-20(26)12-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate has a molecular weight of 396.44 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 2926054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).