3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride

C15H25ClN2O2 — CID 119321799

IUPAC3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride
SMILESCC(C)(C)c1ccccc1OCCNC(=O)CCN.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-15(2,3)12-6-4-5-7-13(12)19-11-10-17-14(18)8-9-16;/h4-7H,8-11,16H2,1-3H3,(H,17,18);1H
InChIKeyAYRBJAIUACVXMD-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.25
Rot. Bonds6

About 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride

3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride (PubChem CID 119321799) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride
PubChem CID119321799
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride
SMILESCC(C)(C)c1ccccc1OCCNC(=O)CCN.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-15(2,3)12-6-4-5-7-13(12)19-11-10-17-14(18)8-9-16;/h4-7H,8-11,16H2,1-3H3,(H,17,18);1H
InChIKeyAYRBJAIUACVXMD-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.25
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

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CID 118869764
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N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
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N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
(2S)-2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-4-methylsulfanylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride (CID 119321799) is 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride is CC(C)(C)c1ccccc1OCCNC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride?
The InChIKey is AYRBJAIUACVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-15(2,3)12-6-4-5-7-13(12)19-11-10-17-14(18)8-9-16;/h4-7H,8-11,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride?
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119321799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).