N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride

C20H27ClN2O2 — CID 119548271

IUPACN-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
SMILESCC(C)COc1ccc(CC(=O)NCCc2ccc(N)cc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-15(2)14-24-19-9-5-17(6-10-19)13-20(23)22-12-11-16-3-7-18(21)8-4-16;/h3-10,15H,11-14,21H2,1-2H3,(H,22,23);1H
InChIKeyRBJZCRRIUKNMMM-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.63
Rot. Bonds8

About N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride (PubChem CID 119548271) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
PubChem CID119548271
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
SMILESCC(C)COc1ccc(CC(=O)NCCc2ccc(N)cc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-15(2)14-24-19-9-5-17(6-10-19)13-20(23)22-12-11-16-3-7-18(21)8-4-16;/h3-10,15H,11-14,21H2,1-2H3,(H,22,23);1H
InChIKeyRBJZCRRIUKNMMM-UHFFFAOYSA-N
XLogP3.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.63
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-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119496509
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2680578
4-(2-methylpropoxy)aniline;oxalic acid
CID 70702357
3-[4-(2-methylpropoxy)phenyl]propanehydrazide
CID 164513636
(2S)-2-amino-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119320730
2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide
CID 54820433
4-(aminomethyl)-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]oxane-4-carboxamide;hydrochloride
CID 120931729
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
CID 110788101
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119522662
N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111484329

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride (CID 119548271) is N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride is CC(C)COc1ccc(CC(=O)NCCc2ccc(N)cc2)cc1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride?
The InChIKey is RBJZCRRIUKNMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-15(2)14-24-19-9-5-17(6-10-19)13-20(23)22-12-11-16-3-7-18(21)8-4-16;/h3-10,15H,11-14,21H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119548271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).