N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride

C14H23ClN2O2 — CID 120568568

IUPACN-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
SMILESCCCCCOCC(=O)Nc1cc(N)ccc1C.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-3-4-5-8-18-10-14(17)16-13-9-12(15)7-6-11(13)2;/h6-7,9H,3-5,8,10,15H2,1-2H3,(H,16,17);1H
InChIKeyMENHYIGRWUTOHG-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.14
Rot. Bonds7

About N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride

N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride (PubChem CID 120568568) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
PubChem CID120568568
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
SMILESCCCCCOCC(=O)Nc1cc(N)ccc1C.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-3-4-5-8-18-10-14(17)16-13-9-12(15)7-6-11(13)2;/h6-7,9H,3-5,8,10,15H2,1-2H3,(H,16,17);1H
InChIKeyMENHYIGRWUTOHG-UHFFFAOYSA-N
XLogP3.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.14
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

N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007
N-(5-amino-2-methylphenyl)-2-(2-cyclobutylethoxy)acetamide
CID 106200107
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219
N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
CID 43376800
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936104
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
CID 43294488
N-(5-amino-2-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
CID 29036846
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751
N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
CID 43127087

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride (CID 120568568) is N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride is CCCCCOCC(=O)Nc1cc(N)ccc1C.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride?
The InChIKey is MENHYIGRWUTOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-3-4-5-8-18-10-14(17)16-13-9-12(15)7-6-11(13)2;/h6-7,9H,3-5,8,10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride?
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride is sourced from PubChem (CID 120568568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).