2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide

C30H28N2O3 — CID 43877888

IUPAC2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)c2ccccc2OCCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C30H28N2O3/c1-22(24-13-6-3-7-14-24)31-29(33)25-15-10-16-26(21-25)32-30(34)27-17-8-9-18-28(27)35-20-19-23-11-4-2-5-12-23/h2-18,21-22H,19-20H2,1H3,(H,31,33)(H,32,34)
InChIKeyFOCHXVRGYAEDKT-UHFFFAOYSA-N
MW464.57 g/mol
LogP6.05
Rot. Bonds9

About 2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide

2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 43877888) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID43877888
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC Name2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)c2ccccc2OCCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C30H28N2O3/c1-22(24-13-6-3-7-14-24)31-29(33)25-15-10-16-26(21-25)32-30(34)27-17-8-9-18-28(27)35-20-19-23-11-4-2-5-12-23/h2-18,21-22H,19-20H2,1H3,(H,31,33)(H,32,34)
InChIKeyFOCHXVRGYAEDKT-UHFFFAOYSA-N
XLogP6.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 28638963
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide
CID 26166889
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877730
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
N-[3-(benzylcarbamoyl)phenyl]-2-propoxybenzamide
CID 28638895
N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 17198857
4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 43887594
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide (CID 43877888) is 2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide is CC(NC(=O)c1cccc(NC(=O)c2ccccc2OCCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is FOCHXVRGYAEDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3/c1-22(24-13-6-3-7-14-24)31-29(33)25-15-10-16-26(21-25)32-30(34)27-17-8-9-18-28(27)35-20-19-23-11-4-2-5-12-23/h2-18,21-22H,19-20H2,1H3,(H,31,33)(H,32,34).
What are the key properties of 2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide?
2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 464.57 g/mol, XLogP of 6.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 43877888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).