3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride

C18H23ClN2O2 — CID 119739690

IUPAC3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCCCOCCc2ccccc2)c1
InChIInChI=1S/C18H22N2O2.ClH/c19-17-9-4-8-16(14-17)18(21)20-11-5-12-22-13-10-15-6-2-1-3-7-15;/h1-4,6-9,14H,5,10-13,19H2,(H,20,21);1H
InChIKeyABLGIZXEAVFAHD-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.07
Rot. Bonds8

About 3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride

3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride (PubChem CID 119739690) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
PubChem CID119739690
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCCCOCCc2ccccc2)c1
InChIInChI=1S/C18H22N2O2.ClH/c19-17-9-4-8-16(14-17)18(21)20-11-5-12-22-13-10-15-6-2-1-3-7-15;/h1-4,6-9,14H,5,10-13,19H2,(H,20,21);1H
InChIKeyABLGIZXEAVFAHD-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119944824
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119835670
3-[(3-aminobenzoyl)amino]propyl sulfamate
CID 121382844
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
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3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55863487
3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55889436
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441
4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide
CID 86821054
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride (CID 119739690) is 3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride is Cl.Nc1cccc(C(=O)NCCCOCCc2ccccc2)c1.
What is the InChIKey of 3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride?
The InChIKey is ABLGIZXEAVFAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c19-17-9-4-8-16(14-17)18(21)20-11-5-12-22-13-10-15-6-2-1-3-7-15;/h1-4,6-9,14H,5,10-13,19H2,(H,20,21);1H.
What are the key properties of 3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride?
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119739690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).