3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide

C16H18N2O2 — CID 43202783

IUPAC3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)c2ccc(O)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-11(12-6-8-15(19)9-7-12)18-14-5-3-4-13(10-14)16(20)17-2/h3-11,18-19H,1-2H3,(H,17,20)
InChIKeyBGTFYOSCAREXLS-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.92
Rot. Bonds4

About 3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide

3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide (PubChem CID 43202783) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
PubChem CID43202783
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)c2ccc(O)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-11(12-6-8-15(19)9-7-12)18-14-5-3-4-13(10-14)16(20)17-2/h3-11,18-19H,1-2H3,(H,17,20)
InChIKeyBGTFYOSCAREXLS-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
3-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43767555
3-(1-phenylethylamino)-N-propan-2-ylbenzamide
CID 43693971
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793
N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43680770
N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
CID 43100379
3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide
CID 107167774
3-[1-(4-bromophenyl)ethylamino]benzoic acid
CID 43139392
N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 47155570
3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide?
The IUPAC name of 3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide (CID 43202783) is 3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(C)c2ccc(O)cc2)c1.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide?
The InChIKey is BGTFYOSCAREXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(12-6-8-15(19)9-7-12)18-14-5-3-4-13(10-14)16(20)17-2/h3-11,18-19H,1-2H3,(H,17,20).
What are the key properties of 3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide?
3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 43202783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).