2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride

C19H25ClN2O2 — CID 119799811

IUPAC2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride
SMILESCOc1ccc(C(C)CCNC(=O)Cc2ccc(N)cc2)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14(16-5-9-18(23-2)10-6-16)11-12-21-19(22)13-15-3-7-17(20)8-4-15;/h3-10,14H,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyWIEPPJJDNMWVHZ-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.55
Rot. Bonds7

About 2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride

2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride (PubChem CID 119799811) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride
PubChem CID119799811
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride
SMILESCOc1ccc(C(C)CCNC(=O)Cc2ccc(N)cc2)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14(16-5-9-18(23-2)10-6-16)11-12-21-19(22)13-15-3-7-17(20)8-4-15;/h3-10,14H,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyWIEPPJJDNMWVHZ-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(4-methoxyphenyl)butyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119799837
N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
CID 106243082
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 110665744
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
2-amino-N-[3-(4-methoxyphenyl)butyl]-3-methylpentanamide
CID 119799848
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 54852716
2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride
CID 119719526
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride (CID 119799811) is 2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride is COc1ccc(C(C)CCNC(=O)Cc2ccc(N)cc2)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride?
The InChIKey is WIEPPJJDNMWVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-14(16-5-9-18(23-2)10-6-16)11-12-21-19(22)13-15-3-7-17(20)8-4-15;/h3-10,14H,11-13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride is sourced from PubChem (CID 119799811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).