4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride

C15H25ClN2O2 — CID 120561157

IUPAC4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride
SMILESCc1cc(C)cc(OCCNC(=O)CCC(C)N)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11-8-12(2)10-14(9-11)19-7-6-17-15(18)5-4-13(3)16;/h8-10,13H,4-7,16H2,1-3H3,(H,17,18);1H
InChIKeyAKBUAIXIGVLRRT-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.35
Rot. Bonds7

About 4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride

4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride (PubChem CID 120561157) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride
PubChem CID120561157
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride
SMILESCc1cc(C)cc(OCCNC(=O)CCC(C)N)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11-8-12(2)10-14(9-11)19-7-6-17-15(18)5-4-13(3)16;/h8-10,13H,4-7,16H2,1-3H3,(H,17,18);1H
InChIKeyAKBUAIXIGVLRRT-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.35
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

4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
CID 120564115
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-methylbutan-2-yl)urea
CID 47386745
2-[2-(3,5-dimethylphenoxy)ethylamino]-2-oxoacetic acid
CID 82129666
cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94620545
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
ethyl 2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 61344778
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119548986

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride (CID 120561157) is 4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride is Cc1cc(C)cc(OCCNC(=O)CCC(C)N)c1.Cl.
What is the InChIKey of 4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride?
The InChIKey is AKBUAIXIGVLRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11-8-12(2)10-14(9-11)19-7-6-17-15(18)5-4-13(3)16;/h8-10,13H,4-7,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride?
4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 120561157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).