2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide

C17H20N2O2 — CID 43714113

IUPAC2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(C)c2cccc(O)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(14-4-3-5-16(20)11-14)19-15-8-6-13(7-9-15)10-17(21)18-2/h3-9,11-12,19-20H,10H2,1-2H3,(H,18,21)
InChIKeyZAFAWIXBAMAPQY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.85
Rot. Bonds5

About 2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide

2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide (PubChem CID 43714113) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide
PubChem CID43714113
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(C)c2cccc(O)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(14-4-3-5-16(20)11-14)19-15-8-6-13(7-9-15)10-17(21)18-2/h3-9,11-12,19-20H,10H2,1-2H3,(H,18,21)
InChIKeyZAFAWIXBAMAPQY-UHFFFAOYSA-N
XLogP2.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea
CID 43744418
N-methyl-2-[4-[1-(4-methylphenyl)ethylamino]phenyl]acetamide
CID 43714072
3-[1-(4-butylanilino)ethyl]phenol
CID 43110475
3-[1-(4-methylsulfanylanilino)ethyl]phenol
CID 43192285
2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714074
2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
CID 64793713
N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43680770
N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63991666
5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol
CID 107707113
3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol
CID 104775910
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide (CID 43714113) is 2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NC(C)c2cccc(O)c2)cc1.
What is the InChIKey of 2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide?
The InChIKey is ZAFAWIXBAMAPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(14-4-3-5-16(20)11-14)19-15-8-6-13(7-9-15)10-17(21)18-2/h3-9,11-12,19-20H,10H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide?
2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 43714113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).