N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride

C18H23ClN2O2 — CID 16737349

IUPACN-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride
SMILESCl.NCCCCCNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2.ClH/c19-13-5-2-6-14-20-18(21)15-9-11-17(12-10-15)22-16-7-3-1-4-8-16;/h1,3-4,7-12H,2,5-6,13-14,19H2,(H,20,21);1H
InChIKeyOHRFHYAPCLBOPD-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.76
Rot. Bonds8

About N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride

N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride (PubChem CID 16737349) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride
PubChem CID16737349
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride
SMILESCl.NCCCCCNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2.ClH/c19-13-5-2-6-14-20-18(21)15-9-11-17(12-10-15)22-16-7-3-1-4-8-16;/h1,3-4,7-12H,2,5-6,13-14,19H2,(H,20,21);1H
InChIKeyOHRFHYAPCLBOPD-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride?
The IUPAC name of N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride (CID 16737349) is N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride.
What is the SMILES notation for N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride?
The canonical SMILES for N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride is Cl.NCCCCCNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride?
The InChIKey is OHRFHYAPCLBOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c19-13-5-2-6-14-20-18(21)15-9-11-17(12-10-15)22-16-7-3-1-4-8-16;/h1,3-4,7-12H,2,5-6,13-14,19H2,(H,20,21);1H.
What are the key properties of N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride?
N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-4-phenoxybenzamide;hydrochloride is sourced from PubChem (CID 16737349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).