4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid

C29H25NO3 — CID 10342932

IUPAC4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid
SMILESO=C(O)c1ccc(C(Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H25NO3/c31-28(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)30-26(20-21-10-4-1-5-11-21)22-16-18-25(19-17-22)29(32)33/h1-19,26-27H,20H2,(H,30,31)(H,32,33)
InChIKeyJAPXAZLOWZNVRV-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.62
Rot. Bonds8

About 4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid

4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid (PubChem CID 10342932) has the molecular formula C29H25NO3 and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid
PubChem CID10342932
Molecular FormulaC29H25NO3
Molecular Weight435.52 g/mol
Exact Mass435.18
IUPAC Name4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid
SMILESO=C(O)c1ccc(C(Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H25NO3/c31-28(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)30-26(20-21-10-4-1-5-11-21)22-16-18-25(19-17-22)29(32)33/h1-19,26-27H,20H2,(H,30,31)(H,32,33)
InChIKeyJAPXAZLOWZNVRV-UHFFFAOYSA-N
XLogP5.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid?
The IUPAC name of 4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid (CID 10342932) is 4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid.
What is the SMILES notation for 4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid?
The canonical SMILES for 4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid is O=C(O)c1ccc(C(Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid?
The InChIKey is JAPXAZLOWZNVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO3/c31-28(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)30-26(20-21-10-4-1-5-11-21)22-16-18-25(19-17-22)29(32)33/h1-19,26-27H,20H2,(H,30,31)(H,32,33).
What are the key properties of 4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid?
4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid has a molecular weight of 435.52 g/mol, XLogP of 5.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,2-diphenylacetyl)amino]-2-phenylethyl]benzoic acid is sourced from PubChem (CID 10342932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).