3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride

C18H23ClN2O2 — CID 119286417

IUPAC3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C18H22N2O2.ClH/c19-11-10-18(21)20-12-16-8-4-5-9-17(16)14-22-13-15-6-2-1-3-7-15;/h1-9H,10-14,19H2,(H,20,21);1H
InChIKeyWDBWDLRZASRZJO-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.79
Rot. Bonds8

About 3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride

3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119286417) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID119286417
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C18H22N2O2.ClH/c19-11-10-18(21)20-12-16-8-4-5-9-17(16)14-22-13-15-6-2-1-3-7-15;/h1-9H,10-14,19H2,(H,20,21);1H
InChIKeyWDBWDLRZASRZJO-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588541
2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55694421
methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate
CID 97019366
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
2-(N-ethylanilino)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 60512306
1-(2-hydroxyethyl)-3-[[2-(phenylmethoxymethyl)phenyl]methyl]urea
CID 110894223
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718080
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 55694341
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-sulfamoylpropanamide
CID 154868821
2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119718098
2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 78884993
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46465102

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride (CID 119286417) is 3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCc1ccccc1COCc1ccccc1.
What is the InChIKey of 3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is WDBWDLRZASRZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c19-11-10-18(21)20-12-16-8-4-5-9-17(16)14-22-13-15-6-2-1-3-7-15;/h1-9H,10-14,19H2,(H,20,21);1H.
What are the key properties of 3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride?
3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119286417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).