ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate

C22H26N2O4 — CID 3728810

IUPACethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)CCNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-2-28-20(26)14-16-23-19(25)13-15-24-22(27)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,21H,2,13-16H2,1H3,(H,23,25)(H,24,27)
InChIKeyZQPHAGLJTYCNPS-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.39
Rot. Bonds10

About ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate

ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate (PubChem CID 3728810) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate
PubChem CID3728810
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Nameethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)CCNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-2-28-20(26)14-16-23-19(25)13-15-24-22(27)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,21H,2,13-16H2,1H3,(H,23,25)(H,24,27)
InChIKeyZQPHAGLJTYCNPS-UHFFFAOYSA-N
XLogP2.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate?
The IUPAC name of ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate (CID 3728810) is ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate.
What is the SMILES notation for ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate?
The canonical SMILES for ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate is CCOC(=O)CCNC(=O)CCNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate?
The InChIKey is ZQPHAGLJTYCNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-28-20(26)14-16-23-19(25)13-15-24-22(27)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,21H,2,13-16H2,1H3,(H,23,25)(H,24,27).
What are the key properties of ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate?
ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate has a molecular weight of 382.46 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[(2,2-diphenylacetyl)amino]propanoylamino]propanoate is sourced from PubChem (CID 3728810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).