4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride

C20H27ClN2O3 — CID 119264756

IUPAC4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
SMILESCCOc1ccc(CCNC(=O)c2ccc(CN)cc2)cc1OCC.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-3-24-18-10-7-15(13-19(18)25-4-2)11-12-22-20(23)17-8-5-16(14-21)6-9-17;/h5-10,13H,3-4,11-12,14,21H2,1-2H3,(H,22,23);1H
InChIKeyZHJBYMXMBNKEEU-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.34
Rot. Bonds9

About 4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride

4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride (PubChem CID 119264756) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
PubChem CID119264756
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
SMILESCCOc1ccc(CCNC(=O)c2ccc(CN)cc2)cc1OCC.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-3-24-18-10-7-15(13-19(18)25-4-2)11-12-22-20(23)17-8-5-16(14-21)6-9-17;/h5-10,13H,3-4,11-12,14,21H2,1-2H3,(H,22,23);1H
InChIKeyZHJBYMXMBNKEEU-UHFFFAOYSA-N
XLogP3.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304
4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119317364
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 26120167
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 119548952
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134030458
N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitrobenzamide
CID 8781305
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 8781324

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride (CID 119264756) is 4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride is CCOc1ccc(CCNC(=O)c2ccc(CN)cc2)cc1OCC.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride?
The InChIKey is ZHJBYMXMBNKEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-3-24-18-10-7-15(13-19(18)25-4-2)11-12-22-20(23)17-8-5-16(14-21)6-9-17;/h5-10,13H,3-4,11-12,14,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119264756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).