4-(phenoxymethyl)-N-(1-phenylethyl)benzamide

C22H21NO2 — CID 112759831

IUPAC4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(COc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-17(19-8-4-2-5-9-19)23-22(24)20-14-12-18(13-15-20)16-25-21-10-6-3-7-11-21/h2-15,17H,16H2,1H3,(H,23,24)
InChIKeyNABMUTZIZAXWDW-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.76
Rot. Bonds6

About 4-(phenoxymethyl)-N-(1-phenylethyl)benzamide

4-(phenoxymethyl)-N-(1-phenylethyl)benzamide (PubChem CID 112759831) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(phenoxymethyl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
PubChem CID112759831
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(COc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-17(19-8-4-2-5-9-19)23-22(24)20-14-12-18(13-15-20)16-25-21-10-6-3-7-11-21/h2-15,17H,16H2,1H3,(H,23,24)
InChIKeyNABMUTZIZAXWDW-UHFFFAOYSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(phenoxymethyl)-N-(1-phenylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
CID 41380086
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
CID 69303198
[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate
CID 23597756
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide
CID 89072103
4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide
CID 75767617
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
N-methyl-4-phenylmethoxybenzamide
CID 2996745
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-(phenoxymethyl)-N-(1-phenylethyl)benzamide (CID 112759831) is 4-(phenoxymethyl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-(phenoxymethyl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-(phenoxymethyl)-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(COc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-(phenoxymethyl)-N-(1-phenylethyl)benzamide?
The InChIKey is NABMUTZIZAXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-17(19-8-4-2-5-9-19)23-22(24)20-14-12-18(13-15-20)16-25-21-10-6-3-7-11-21/h2-15,17H,16H2,1H3,(H,23,24).
What are the key properties of 4-(phenoxymethyl)-N-(1-phenylethyl)benzamide?
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide has a molecular weight of 331.42 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 112759831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).