N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide

C17H20N2O2 — CID 104548252

IUPACN-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C17H20N2O2/c1-18-11-10-14-4-2-3-5-16(14)17(21)19-15-8-6-13(12-20)7-9-15/h2-9,18,20H,10-12H2,1H3,(H,19,21)
InChIKeyOJLGKMAFDOCILZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.19
Rot. Bonds6

About N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide

N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide (PubChem CID 104548252) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide
PubChem CID104548252
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C17H20N2O2/c1-18-11-10-14-4-2-3-5-16(14)17(21)19-15-8-6-13(12-20)7-9-15/h2-9,18,20H,10-12H2,1H3,(H,19,21)
InChIKeyOJLGKMAFDOCILZ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64792802
N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
CID 114332137
2-(hydroxymethyl)-N-phenylbenzamide
CID 14198283
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-(2-methylpropyl)benzamide
CID 119047123
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 104547416
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613196
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
CID 107222500

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide (CID 104548252) is N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide is CNCCc1ccccc1C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is OJLGKMAFDOCILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18-11-10-14-4-2-3-5-16(14)17(21)19-15-8-6-13(12-20)7-9-15/h2-9,18,20H,10-12H2,1H3,(H,19,21).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide?
N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 104548252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).