2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride

C19H25ClN2O3 — CID 119715038

IUPAC2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride
SMILESCCCCOc1ccc(OC)cc1NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-3-4-11-24-18-10-9-16(23-2)13-17(18)21-19(22)12-14-5-7-15(20)8-6-14;/h5-10,13H,3-4,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyCMPJGEYGGXIONB-UHFFFAOYSA-N
MW364.87 g/mol
LogP4.06
Rot. Bonds8

About 2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride (PubChem CID 119715038) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride
PubChem CID119715038
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride
SMILESCCCCOc1ccc(OC)cc1NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-3-4-11-24-18-10-9-16(23-2)13-17(18)21-19(22)12-14-5-7-15(20)8-6-14;/h5-10,13H,3-4,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyCMPJGEYGGXIONB-UHFFFAOYSA-N
XLogP4.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 119715039
3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
CID 120608796
4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119284799
3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716
N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 35366389
2-(4-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119773164
2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 46441550
N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864329
N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide
CID 47328777
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride (CID 119715038) is 2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride is CCCCOc1ccc(OC)cc1NC(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride?
The InChIKey is CMPJGEYGGXIONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3.ClH/c1-3-4-11-24-18-10-9-16(23-2)13-17(18)21-19(22)12-14-5-7-15(20)8-6-14;/h5-10,13H,3-4,11-12,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119715038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).