4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride

C20H27ClN2O2 — CID 119284651

IUPAC4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
SMILESCCCCOc1ccc(CCNC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-2-3-14-24-19-10-6-16(7-11-19)12-13-22-20(23)18-8-4-17(15-21)5-9-18;/h4-11H,2-3,12-15,21H2,1H3,(H,22,23);1H
InChIKeyLKKNKEHQNXXQNL-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.72
Rot. Bonds9

About 4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride

4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride (PubChem CID 119284651) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
PubChem CID119284651
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
SMILESCCCCOc1ccc(CCNC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-2-3-14-24-19-10-6-16(7-11-19)12-13-22-20(23)18-8-4-17(15-21)5-9-18;/h4-11H,2-3,12-15,21H2,1H3,(H,22,23);1H
InChIKeyLKKNKEHQNXXQNL-UHFFFAOYSA-N
XLogP3.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
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4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
3-[[4-[7-(4-pentylphenoxy)heptyl]benzoyl]amino]propanoic acid
CID 67486020
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride (CID 119284651) is 4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride is CCCCOc1ccc(CCNC(=O)c2ccc(CN)cc2)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride?
The InChIKey is LKKNKEHQNXXQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-2-3-14-24-19-10-6-16(7-11-19)12-13-22-20(23)18-8-4-17(15-21)5-9-18;/h4-11H,2-3,12-15,21H2,1H3,(H,22,23);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119284651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).