2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone

C23H23NO3 — CID 54150258

IUPAC2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone
SMILESCc1ccc(Oc2ccc(C(=O)CN(C)Cc3ccccc3)cc2O)cc1
InChIInChI=1S/C23H23NO3/c1-17-8-11-20(12-9-17)27-23-13-10-19(14-21(23)25)22(26)16-24(2)15-18-6-4-3-5-7-18/h3-14,25H,15-16H2,1-2H3
InChIKeyOHFOSAZGVBKONG-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.81
Rot. Bonds7

About 2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone

2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone (PubChem CID 54150258) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone
PubChem CID54150258
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone
SMILESCc1ccc(Oc2ccc(C(=O)CN(C)Cc3ccccc3)cc2O)cc1
InChIInChI=1S/C23H23NO3/c1-17-8-11-20(12-9-17)27-23-13-10-19(14-21(23)25)22(26)16-24(2)15-18-6-4-3-5-7-18/h3-14,25H,15-16H2,1-2H3
InChIKeyOHFOSAZGVBKONG-UHFFFAOYSA-N
XLogP4.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone
CID 71497148
1-(3,4-dihydroxyphenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65486677
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
CID 60679544
2-amino-1-[3,4-bis(4-methylphenoxy)phenyl]ethanone
CID 70624105
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
CID 71497144
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
1-(3-amino-4-methylphenyl)-3-[benzyl(methyl)amino]propan-1-one
CID 82136060
3-[methyl-[2-(4-methylphenyl)-2-oxoethyl]amino]propanoic acid
CID 82136245
1-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-methylamino]ethanone;hydrochloride
CID 175674657

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone (CID 54150258) is 2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone is Cc1ccc(Oc2ccc(C(=O)CN(C)Cc3ccccc3)cc2O)cc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone?
The InChIKey is OHFOSAZGVBKONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-17-8-11-20(12-9-17)27-23-13-10-19(14-21(23)25)22(26)16-24(2)15-18-6-4-3-5-7-18/h3-14,25H,15-16H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone?
2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone has a molecular weight of 361.44 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone is sourced from PubChem (CID 54150258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).