N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride

C13H21ClN2O3 — CID 119625634

IUPACN-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
SMILESCOCCOCC(=O)Nc1ccc(C(C)N)cc1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-10(14)11-3-5-12(6-4-11)15-13(16)9-18-8-7-17-2;/h3-6,10H,7-9,14H2,1-2H3,(H,15,16);1H
InChIKeyCJPQSGAEQOUYNE-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.73
Rot. Bonds7

About N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride

N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride (PubChem CID 119625634) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
PubChem CID119625634
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC NameN-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
SMILESCOCCOCC(=O)Nc1ccc(C(C)N)cc1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-10(14)11-3-5-12(6-4-11)15-13(16)9-18-8-7-17-2;/h3-6,10H,7-9,14H2,1-2H3,(H,15,16);1H
InChIKeyCJPQSGAEQOUYNE-UHFFFAOYSA-N
XLogP1.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea
CID 64606150
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
2-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]acetamide
CID 61279184
N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936159
2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 103606770
3-[4-[(2-propoxyacetyl)amino]phenyl]butanoic acid
CID 107938328
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
N-(4-bromophenyl)-2-[2-(methylamino)ethoxy]acetamide
CID 62336625
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
N-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyethoxy)acetamide
CID 114032049

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride (CID 119625634) is N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride is COCCOCC(=O)Nc1ccc(C(C)N)cc1.Cl.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
The InChIKey is CJPQSGAEQOUYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-10(14)11-3-5-12(6-4-11)15-13(16)9-18-8-7-17-2;/h3-6,10H,7-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride?
N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride is sourced from PubChem (CID 119625634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).