2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide

C29H27NO3 — CID 17142269

IUPAC2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCCc2ccccc2)c1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C29H27NO3/c31-29(27-16-7-8-17-28(27)33-21-19-24-12-5-2-6-13-24)30-25-14-9-15-26(22-25)32-20-18-23-10-3-1-4-11-23/h1-17,22H,18-21H2,(H,30,31)
InChIKeyGQEJSZZHVLAJBB-UHFFFAOYSA-N
MW437.54 g/mol
LogP6.18
Rot. Bonds10

About 2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide

2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide (PubChem CID 17142269) has the molecular formula C29H27NO3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
PubChem CID17142269
Molecular FormulaC29H27NO3
Molecular Weight437.54 g/mol
Exact Mass437.20
IUPAC Name2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCCc2ccccc2)c1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C29H27NO3/c31-29(27-16-7-8-17-28(27)33-21-19-24-12-5-2-6-13-24)30-25-14-9-15-26(22-25)32-20-18-23-10-3-1-4-11-23/h1-17,22H,18-21H2,(H,30,31)
InChIKeyGQEJSZZHVLAJBB-UHFFFAOYSA-N
XLogP6.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628562
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142104
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 28638963
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
CID 17141950
2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide
CID 17133169
5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628556
5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142257

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide?
The IUPAC name of 2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide (CID 17142269) is 2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide.
What is the SMILES notation for 2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide?
The canonical SMILES for 2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide is O=C(Nc1cccc(OCCc2ccccc2)c1)c1ccccc1OCCc1ccccc1.
What is the InChIKey of 2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide?
The InChIKey is GQEJSZZHVLAJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3/c31-29(27-16-7-8-17-28(27)33-21-19-24-12-5-2-6-13-24)30-25-14-9-15-26(22-25)32-20-18-23-10-3-1-4-11-23/h1-17,22H,18-21H2,(H,30,31).
What are the key properties of 2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide?
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 6.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide is sourced from PubChem (CID 17142269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).