4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide

C16H18N2O2 — CID 43791628

IUPAC4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
SMILESCC(NCc1ccc(C(N)=O)cc1)c1cccc(O)c1
InChIInChI=1S/C16H18N2O2/c1-11(14-3-2-4-15(19)9-14)18-10-12-5-7-13(8-6-12)16(17)20/h2-9,11,18-19H,10H2,1H3,(H2,17,20)
InChIKeyQFXISFGPRNTEND-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.34
Rot. Bonds5

About 4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide

4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide (PubChem CID 43791628) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
PubChem CID43791628
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
SMILESCC(NCc1ccc(C(N)=O)cc1)c1cccc(O)c1
InChIInChI=1S/C16H18N2O2/c1-11(14-3-2-4-15(19)9-14)18-10-12-5-7-13(8-6-12)16(17)20/h2-9,11,18-19H,10H2,1H3,(H2,17,20)
InChIKeyQFXISFGPRNTEND-UHFFFAOYSA-N
XLogP2.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614281
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3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
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3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
CID 60790186
4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide
CID 34716636
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]benzoic acid
CID 81354482

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide?
The IUPAC name of 4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide (CID 43791628) is 4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide is CC(NCc1ccc(C(N)=O)cc1)c1cccc(O)c1.
What is the InChIKey of 4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide?
The InChIKey is QFXISFGPRNTEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(14-3-2-4-15(19)9-14)18-10-12-5-7-13(8-6-12)16(17)20/h2-9,11,18-19H,10H2,1H3,(H2,17,20).
What are the key properties of 4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide?
4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 43791628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).