2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride

C18H23ClN2O4 — CID 119719526

IUPAC2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride
SMILESCOc1cc(OC)cc(C(O)CNC(=O)Cc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-23-15-8-13(9-16(10-15)24-2)17(21)11-20-18(22)7-12-3-5-14(19)6-4-12;/h3-6,8-10,17,21H,7,11,19H2,1-2H3,(H,20,22);1H
InChIKeyZVDVZHUIHCZYNN-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.10
Rot. Bonds7

About 2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride

2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride (PubChem CID 119719526) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride
PubChem CID119719526
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride
SMILESCOc1cc(OC)cc(C(O)CNC(=O)Cc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-23-15-8-13(9-16(10-15)24-2)17(21)11-20-18(22)7-12-3-5-14(19)6-4-12;/h3-6,8-10,17,21H,7,11,19H2,1-2H3,(H,20,22);1H
InChIKeyZVDVZHUIHCZYNN-UHFFFAOYSA-N
XLogP2.10
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;dihydrochloride
CID 119832171
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832172
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
CID 113266165
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride
CID 119799811
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
CID 64569589

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride (CID 119719526) is 2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride is COc1cc(OC)cc(C(O)CNC(=O)Cc2ccc(N)cc2)c1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride?
The InChIKey is ZVDVZHUIHCZYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4.ClH/c1-23-15-8-13(9-16(10-15)24-2)17(21)11-20-18(22)7-12-3-5-14(19)6-4-12;/h3-6,8-10,17,21H,7,11,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride is sourced from PubChem (CID 119719526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).