(4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate

C26H24N2O5 — CID 2966079

IUPAC(4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
SMILESO=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O5/c29-23(15-19-7-3-1-4-8-19)27-16-24(30)28-17-25(31)33-18-20-11-13-22(14-12-20)26(32)21-9-5-2-6-10-21/h1-14H,15-18H2,(H,27,29)(H,28,30)
InChIKeySCYDFPPZNUSPJF-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.44
Rot. Bonds10

About (4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate

(4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate (PubChem CID 2966079) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is (4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name(4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
PubChem CID2966079
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name(4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
SMILESO=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O5/c29-23(15-19-7-3-1-4-8-19)27-16-24(30)28-17-25(31)33-18-20-11-13-22(14-12-20)26(32)21-9-5-2-6-10-21/h1-14H,15-18H2,(H,27,29)(H,28,30)
InChIKeySCYDFPPZNUSPJF-UHFFFAOYSA-N
XLogP2.44
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The IUPAC name of (4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate (CID 2966079) is (4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate.
What is the SMILES notation for (4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The canonical SMILES for (4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate is O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The InChIKey is SCYDFPPZNUSPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c29-23(15-19-7-3-1-4-8-19)27-16-24(30)28-17-25(31)33-18-20-11-13-22(14-12-20)26(32)21-9-5-2-6-10-21/h1-14H,15-18H2,(H,27,29)(H,28,30).
What are the key properties of (4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
(4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate has a molecular weight of 444.49 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl)methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 2966079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).