ethyl 2-benzamido-2,5-diphenylpentanoate

C26H27NO3 — CID 58591913

IUPACethyl 2-benzamido-2,5-diphenylpentanoate
SMILESCCOC(=O)C(CCCc1ccccc1)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO3/c1-2-30-25(29)26(23-18-10-5-11-19-23,20-12-15-21-13-6-3-7-14-21)27-24(28)22-16-8-4-9-17-22/h3-11,13-14,16-19H,2,12,15,20H2,1H3,(H,27,28)
InChIKeyLWBRBXHICSJCHU-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.90
Rot. Bonds9

About ethyl 2-benzamido-2,5-diphenylpentanoate

ethyl 2-benzamido-2,5-diphenylpentanoate (PubChem CID 58591913) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is ethyl 2-benzamido-2,5-diphenylpentanoate.

Molecular Properties

Compound Nameethyl 2-benzamido-2,5-diphenylpentanoate
PubChem CID58591913
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Nameethyl 2-benzamido-2,5-diphenylpentanoate
SMILESCCOC(=O)C(CCCc1ccccc1)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO3/c1-2-30-25(29)26(23-18-10-5-11-19-23,20-12-15-21-13-6-3-7-14-21)27-24(28)22-16-8-4-9-17-22/h3-11,13-14,16-19H,2,12,15,20H2,1H3,(H,27,28)
InChIKeyLWBRBXHICSJCHU-UHFFFAOYSA-N
XLogP4.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-2,5-diphenylpentanoate?
The IUPAC name of ethyl 2-benzamido-2,5-diphenylpentanoate (CID 58591913) is ethyl 2-benzamido-2,5-diphenylpentanoate.
What is the SMILES notation for ethyl 2-benzamido-2,5-diphenylpentanoate?
The canonical SMILES for ethyl 2-benzamido-2,5-diphenylpentanoate is CCOC(=O)C(CCCc1ccccc1)(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-benzamido-2,5-diphenylpentanoate?
The InChIKey is LWBRBXHICSJCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-2-30-25(29)26(23-18-10-5-11-19-23,20-12-15-21-13-6-3-7-14-21)27-24(28)22-16-8-4-9-17-22/h3-11,13-14,16-19H,2,12,15,20H2,1H3,(H,27,28).
What are the key properties of ethyl 2-benzamido-2,5-diphenylpentanoate?
ethyl 2-benzamido-2,5-diphenylpentanoate has a molecular weight of 401.51 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-2,5-diphenylpentanoate is sourced from PubChem (CID 58591913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).