N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide

C17H20N2O2 — CID 114332137

IUPACN-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C17H20N2O2/c1-18-11-10-14-4-2-3-5-16(14)17(21)19-12-13-6-8-15(20)9-7-13/h2-9,18,20H,10-12H2,1H3,(H,19,21)
InChIKeyJTKBXBRABVSEGB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.08
Rot. Bonds6

About N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide

N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide (PubChem CID 114332137) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
PubChem CID114332137
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C17H20N2O2/c1-18-11-10-14-4-2-3-5-16(14)17(21)19-12-13-6-8-15(20)9-7-13/h2-9,18,20H,10-12H2,1H3,(H,19,21)
InChIKeyJTKBXBRABVSEGB-UHFFFAOYSA-N
XLogP2.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 104547416
2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide
CID 104547749
2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid
CID 110483824
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
2-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzamide
CID 106896095
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664
2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 104547624
2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide
CID 113425680
N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide
CID 104548252

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide (CID 114332137) is N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide is CNCCc1ccccc1C(=O)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is JTKBXBRABVSEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18-11-10-14-4-2-3-5-16(14)17(21)19-12-13-6-8-15(20)9-7-13/h2-9,18,20H,10-12H2,1H3,(H,19,21).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide?
N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 114332137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).