N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide

C29H27NO2 — CID 2557935

IUPACN-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide
SMILESCCOC(C(=O)Nc1ccccc1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27NO2/c1-2-32-29(25-17-8-4-9-18-25,26-19-10-5-11-20-26)28(31)30-27-21-13-12-16-24(27)22-23-14-6-3-7-15-23/h3-21H,2,22H2,1H3,(H,30,31)
InChIKeyHKGPXUDUFBDMIU-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.20
Rot. Bonds8

About N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide

N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide (PubChem CID 2557935) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide
PubChem CID2557935
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC NameN-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide
SMILESCCOC(C(=O)Nc1ccccc1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27NO2/c1-2-32-29(25-17-8-4-9-18-25,26-19-10-5-11-20-26)28(31)30-27-21-13-12-16-24(27)22-23-14-6-3-7-15-23/h3-21H,2,22H2,1H3,(H,30,31)
InChIKeyHKGPXUDUFBDMIU-UHFFFAOYSA-N
XLogP6.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide?
The IUPAC name of N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide (CID 2557935) is N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide is CCOC(C(=O)Nc1ccccc1Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide?
The InChIKey is HKGPXUDUFBDMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c1-2-32-29(25-17-8-4-9-18-25,26-19-10-5-11-20-26)28(31)30-27-21-13-12-16-24(27)22-23-14-6-3-7-15-23/h3-21H,2,22H2,1H3,(H,30,31).
What are the key properties of N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide?
N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide has a molecular weight of 421.54 g/mol, XLogP of 6.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide is sourced from PubChem (CID 2557935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).