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

C29H26N2O3 — CID 28638963

IUPACN-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2OCCc2ccccc2)c1
InChIInChI=1S/C29H26N2O3/c32-28(30-21-23-12-5-2-6-13-23)24-14-9-15-25(20-24)31-29(33)26-16-7-8-17-27(26)34-19-18-22-10-3-1-4-11-22/h1-17,20H,18-19,21H2,(H,30,32)(H,31,33)
InChIKeyGBQKIVJKYOUALS-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.49
Rot. Bonds9

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

N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide (PubChem CID 28638963) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
PubChem CID28638963
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC NameN-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2OCCc2ccccc2)c1
InChIInChI=1S/C29H26N2O3/c32-28(30-21-23-12-5-2-6-13-23)24-14-9-15-25(20-24)31-29(33)26-16-7-8-17-27(26)34-19-18-22-10-3-1-4-11-22/h1-17,20H,18-19,21H2,(H,30,32)(H,31,33)
InChIKeyGBQKIVJKYOUALS-UHFFFAOYSA-N
XLogP5.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 28638908
N-[3-(benzylcarbamoyl)phenyl]-2-propoxybenzamide
CID 28638895
N-[3-(benzylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 28638874
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877888
N-[[3-(benzylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 28639081
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide
CID 26166889
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17200032
N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide
CID 28638781
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
CID 54781200

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide (CID 28638963) is N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide is O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2OCCc2ccccc2)c1.
What is the InChIKey of N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is GBQKIVJKYOUALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c32-28(30-21-23-12-5-2-6-13-23)24-14-9-15-25(20-24)31-29(33)26-16-7-8-17-27(26)34-19-18-22-10-3-1-4-11-22/h1-17,20H,18-19,21H2,(H,30,32)(H,31,33).
What are the key properties of N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide has a molecular weight of 450.54 g/mol, XLogP of 5.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 28638963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).