3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride

C18H23ClN2O2 — CID 119950402

IUPAC3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCc1ccccc1OCCNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-14-7-5-6-10-17(14)22-12-11-20-18(21)13-16(19)15-8-3-2-4-9-15;/h2-10,16H,11-13,19H2,1H3,(H,20,21);1H
InChIKeyFGUCMVGLDPOFGA-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.00
Rot. Bonds7

About 3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119950402) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119950402
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCc1ccccc1OCCNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-14-7-5-6-10-17(14)22-12-11-20-18(21)13-16(19)15-8-3-2-4-9-15;/h2-10,16H,11-13,19H2,1H3,(H,20,21);1H
InChIKeyFGUCMVGLDPOFGA-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.00
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-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120589848
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide
CID 119950794
2-amino-N-[2-(2-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667716
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 119742932
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742926
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
2-chloro-N-[3-[2-(2-methylphenoxy)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55907565
3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
CID 119772263
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952335
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride (CID 119950402) is 3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride is Cc1ccccc1OCCNC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is FGUCMVGLDPOFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-14-7-5-6-10-17(14)22-12-11-20-18(21)13-16(19)15-8-3-2-4-9-15;/h2-10,16H,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.00, 7 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-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).