3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride

C18H23ClN2O2 — CID 119948729

IUPAC3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)CC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-22-16-9-7-14(8-10-16)11-12-20-18(21)13-17(19)15-5-3-2-4-6-15;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H
InChIKeyMMFAUGFDYYWQAA-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.87
Rot. Bonds7

About 3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119948729) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119948729
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)CC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-22-16-9-7-14(8-10-16)11-12-20-18(21)13-17(19)15-5-3-2-4-6-15;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H
InChIKeyMMFAUGFDYYWQAA-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951056
3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119950814
3-amino-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 18330162
2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 119299639
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791419
N-(3,3-diphenylpropyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 16658889
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride (CID 119948729) is 3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride is COc1ccc(CCNC(=O)CC(N)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is MMFAUGFDYYWQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-22-16-9-7-14(8-10-16)11-12-20-18(21)13-17(19)15-5-3-2-4-6-15;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.87, 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-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119948729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).