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

C26H27NO4 — CID 17141950

IUPACN-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C26H27NO4/c28-26(27-21-10-6-11-22(18-21)31-19-23-12-7-16-29-23)24-13-4-5-14-25(24)30-17-15-20-8-2-1-3-9-20/h1-6,8-11,13-14,18,23H,7,12,15-17,19H2,(H,27,28)
InChIKeyZQZOTGBSTCRRIL-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.12
Rot. Bonds9

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

N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide (PubChem CID 17141950) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
PubChem CID17141950
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC NameN-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C26H27NO4/c28-26(27-21-10-6-11-22(18-21)31-19-23-12-7-16-29-23)24-13-4-5-14-25(24)30-17-15-20-8-2-1-3-9-20/h1-6,8-11,13-14,18,23H,7,12,15-17,19H2,(H,27,28)
InChIKeyZQZOTGBSTCRRIL-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

N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17142027
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 18103402
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38477709
N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 4957999
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide (CID 17141950) is N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide is O=C(Nc1cccc(OCC2CCCO2)c1)c1ccccc1OCCc1ccccc1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is ZQZOTGBSTCRRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c28-26(27-21-10-6-11-22(18-21)31-19-23-12-7-16-29-23)24-13-4-5-14-25(24)30-17-15-20-8-2-1-3-9-20/h1-6,8-11,13-14,18,23H,7,12,15-17,19H2,(H,27,28).
What are the key properties of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide?
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(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-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17141950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).