N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide

C22H21NO2 — CID 2195613

IUPACN-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2/c1-2-17-10-14-20(15-11-17)23-22(24)19-12-8-18(9-13-19)16-25-21-6-4-3-5-7-21/h3-15H,2,16H2,1H3,(H,23,24)
InChIKeyKNLDGCUHBRRHEV-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.08
Rot. Bonds6

About N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide

N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide (PubChem CID 2195613) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
PubChem CID2195613
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2/c1-2-17-10-14-20(15-11-17)23-22(24)19-12-8-18(9-13-19)16-25-21-6-4-3-5-7-21/h3-15H,2,16H2,1H3,(H,23,24)
InChIKeyKNLDGCUHBRRHEV-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
1-(4-ethylphenyl)-3-[[4-(phenoxymethyl)benzoyl]amino]thiourea
CID 8616375
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132
N-(4-ethylphenyl)benzamide
CID 774063
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
N-(2,6-dimethylphenyl)-4-[(4-ethylphenoxy)methyl]benzamide
CID 1226229
2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid
CID 4896531
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide (CID 2195613) is N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide is CCc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide?
The InChIKey is KNLDGCUHBRRHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-2-17-10-14-20(15-11-17)23-22(24)19-12-8-18(9-13-19)16-25-21-6-4-3-5-7-21/h3-15H,2,16H2,1H3,(H,23,24).
What are the key properties of N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide?
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide has a molecular weight of 331.42 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 2195613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).