4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide

C18H22N2O2 — CID 111110287

IUPAC4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-19-18(22)17-9-7-16(8-10-17)14-20(11-12-21)13-15-5-3-2-4-6-15/h2-10,21H,11-14H2,1H3,(H,19,22)
InChIKeyNVQQBHGIJWFXPZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.04
Rot. Bonds7

About 4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide

4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide (PubChem CID 111110287) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
PubChem CID111110287
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-19-18(22)17-9-7-16(8-10-17)14-20(11-12-21)13-15-5-3-2-4-6-15/h2-10,21H,11-14H2,1H3,(H,19,22)
InChIKeyNVQQBHGIJWFXPZ-UHFFFAOYSA-N
XLogP2.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
4-[[benzyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 62116338
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 11623587
azane;3-(dibenzylamino)propanoic acid
CID 162310692
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide (CID 111110287) is 4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(CCO)Cc2ccccc2)cc1.
What is the InChIKey of 4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide?
The InChIKey is NVQQBHGIJWFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-18(22)17-9-7-16(8-10-17)14-20(11-12-21)13-15-5-3-2-4-6-15/h2-10,21H,11-14H2,1H3,(H,19,22).
What are the key properties of 4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide?
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111110287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).