N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide

C26H27NO4 — CID 4957999

IUPACN-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C26H27NO4/c28-26(27-22-10-14-24(15-11-22)31-19-25-7-4-17-29-25)21-8-12-23(13-9-21)30-18-16-20-5-2-1-3-6-20/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,27,28)
InChIKeyQZVRYFDWSBYALD-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.12
Rot. Bonds9

About N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide

N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide (PubChem CID 4957999) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide
PubChem CID4957999
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC NameN-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C26H27NO4/c28-26(27-22-10-14-24(15-11-22)31-19-25-7-4-17-29-25)21-8-12-23(13-9-21)30-18-16-20-5-2-1-3-6-20/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,27,28)
InChIKeyQZVRYFDWSBYALD-UHFFFAOYSA-N
XLogP5.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233663
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
4-(oxolan-2-ylmethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17222220
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17142027
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17112691
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide?
The IUPAC name of N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide (CID 4957999) is N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide is O=C(Nc1ccc(OCC2CCCO2)cc1)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide?
The InChIKey is QZVRYFDWSBYALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c28-26(27-22-10-14-24(15-11-22)31-19-25-7-4-17-29-25)21-8-12-23(13-9-21)30-18-16-20-5-2-1-3-6-20/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,27,28).
What are the key properties of N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide?
N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide has a molecular weight of 417.51 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 4957999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).