N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride

C20H27ClN2O2 — CID 16737351

IUPACN-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride
SMILESCN(C)CCCCCNC(=O)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-22(2)16-8-4-7-15-21-20(23)17-11-13-19(14-12-17)24-18-9-5-3-6-10-18;/h3,5-6,9-14H,4,7-8,15-16H2,1-2H3,(H,21,23);1H
InChIKeyIHMVANALPHZKRS-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.36
Rot. Bonds9

About N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride

N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride (PubChem CID 16737351) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride
PubChem CID16737351
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride
SMILESCN(C)CCCCCNC(=O)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-22(2)16-8-4-7-15-21-20(23)17-11-13-19(14-12-17)24-18-9-5-3-6-10-18;/h3,5-6,9-14H,4,7-8,15-16H2,1-2H3,(H,21,23);1H
InChIKeyIHMVANALPHZKRS-UHFFFAOYSA-N
XLogP4.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.36
H-Bond Donors ≤ 51
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-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride?
The IUPAC name of N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride (CID 16737351) is N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride.
What is the SMILES notation for N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride?
The canonical SMILES for N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride is CN(C)CCCCCNC(=O)c1ccc(Oc2ccccc2)cc1.Cl.
What is the InChIKey of N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride?
The InChIKey is IHMVANALPHZKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-22(2)16-8-4-7-15-21-20(23)17-11-13-19(14-12-17)24-18-9-5-3-6-10-18;/h3,5-6,9-14H,4,7-8,15-16H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride?
N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride is sourced from PubChem (CID 16737351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).