2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone

C23H23NO2 — CID 21420217

IUPAC2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone
SMILESCCN(CC(=O)c1ccccc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H23NO2/c1-2-24(17-23(25)20-12-7-4-8-13-20)21-14-9-15-22(16-21)26-18-19-10-5-3-6-11-19/h3-16H,2,17-18H2,1H3
InChIKeyRHKGUNBANYHDJT-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.97
Rot. Bonds8

About 2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone

2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone (PubChem CID 21420217) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone.

Molecular Properties

Compound Name2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone
PubChem CID21420217
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone
SMILESCCN(CC(=O)c1ccccc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H23NO2/c1-2-24(17-23(25)20-12-7-4-8-13-20)21-14-9-15-22(16-21)26-18-19-10-5-3-6-11-19/h3-16H,2,17-18H2,1H3
InChIKeyRHKGUNBANYHDJT-UHFFFAOYSA-N
XLogP4.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone 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

N,N-diethyl-3-(phenoxymethyl)aniline
CID 54126573
3-[[3-(diethylamino)phenoxy]methyl]benzenecarbothioamide
CID 39158567
2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
(E)-3-(3-phenylmethoxyphenyl)but-2-enoic acid
CID 68732642
2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
CID 71497144
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
CID 105091669
2-[3-(dimethylamino)phenoxy]-1-phenylethanone
CID 60773053
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
CID 21407152
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-phenylmethoxybenzamide
CID 26266292

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone?
The IUPAC name of 2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone (CID 21420217) is 2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone.
What is the SMILES notation for 2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone?
The canonical SMILES for 2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone is CCN(CC(=O)c1ccccc1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone?
The InChIKey is RHKGUNBANYHDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-24(17-23(25)20-12-7-4-8-13-20)21-14-9-15-22(16-21)26-18-19-10-5-3-6-11-19/h3-16H,2,17-18H2,1H3.
What are the key properties of 2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone?
2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone has a molecular weight of 345.44 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone is sourced from PubChem (CID 21420217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).