N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride

C14H23ClN2O2 — CID 119528731

IUPACN-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
SMILESCOCCCCC(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-18-10-6-5-9-14(17)16-11-13(15)12-7-3-2-4-8-12;/h2-4,7-8,13H,5-6,9-11,15H2,1H3,(H,16,17);1H
InChIKeyJWEAKMMKKVJJQG-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.04
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride

N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride (PubChem CID 119528731) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
PubChem CID119528731
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
SMILESCOCCCCC(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-18-10-6-5-9-14(17)16-11-13(15)12-7-3-2-4-8-12;/h2-4,7-8,13H,5-6,9-11,15H2,1H3,(H,16,17);1H
InChIKeyJWEAKMMKKVJJQG-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.04
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

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
CID 119527853
N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride
CID 119528324
N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide
CID 119527817
N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
CID 119528074
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
CID 110001835
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119528417
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride (CID 119528731) is N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride is COCCCCC(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride?
The InChIKey is JWEAKMMKKVJJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-18-10-6-5-9-14(17)16-11-13(15)12-7-3-2-4-8-12;/h2-4,7-8,13H,5-6,9-11,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride is sourced from PubChem (CID 119528731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).