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

C19H25ClN2O2 — CID 119780497

IUPAC3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride
SMILESCC(C)(C)c1ccccc1OCCNC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-19(2,3)16-9-4-5-10-17(16)23-12-11-21-18(22)14-7-6-8-15(20)13-14;/h4-10,13H,11-12,20H2,1-3H3,(H,21,22);1H
InChIKeyLZXGHBSTMRKSJN-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.80
Rot. Bonds5

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

3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride (PubChem CID 119780497) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride
PubChem CID119780497
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride
SMILESCC(C)(C)c1ccccc1OCCNC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-19(2,3)16-9-4-5-10-17(16)23-12-11-21-18(22)14-7-6-8-15(20)13-14;/h4-10,13H,11-12,20H2,1-3H3,(H,21,22);1H
InChIKeyLZXGHBSTMRKSJN-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.80
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

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CID 118869764
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N-[2-(2-tert-butylphenoxy)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119780509
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
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3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052583
3-[[2-(2-tert-butylphenoxy)ethylamino]methyl]benzoic acid
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N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
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CID 119739690

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride (CID 119780497) is 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride is CC(C)(C)c1ccccc1OCCNC(=O)c1cccc(N)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride?
The InChIKey is LZXGHBSTMRKSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-19(2,3)16-9-4-5-10-17(16)23-12-11-21-18(22)14-7-6-8-15(20)13-14;/h4-10,13H,11-12,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride?
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.80, 5 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]benzamide;hydrochloride is sourced from PubChem (CID 119780497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).