2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C18H29ClN2O3S — CID 120792135

IUPAC2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOCCSc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C18H28N2O3S.ClH/c1-13(14-3-5-16(6-4-14)24-12-11-22-2)20-18(21)17(19)15-7-9-23-10-8-15;/h3-6,13,15,17H,7-12,19H2,1-2H3,(H,20,21);1H
InChIKeySKJLQXLTFFLQJO-UHFFFAOYSA-N
MW388.96 g/mol
LogP2.78
Rot. Bonds8

About 2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120792135) has the molecular formula C18H29ClN2O3S and a molecular weight of 388.96 g/mol. Its IUPAC name is 2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120792135
Molecular FormulaC18H29ClN2O3S
Molecular Weight388.96 g/mol
Exact Mass388.16
IUPAC Name2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOCCSc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C18H28N2O3S.ClH/c1-13(14-3-5-16(6-4-14)24-12-11-22-2)20-18(21)17(19)15-7-9-23-10-8-15;/h3-6,13,15,17H,7-12,19H2,1-2H3,(H,20,21);1H
InChIKeySKJLQXLTFFLQJO-UHFFFAOYSA-N
XLogP2.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.96
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120785883
2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784279
2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787225
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097
2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789057
2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide
CID 120788514
2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
CID 120801790
2-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798291
2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784075
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787967
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120792135) is 2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is COCCSc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is SKJLQXLTFFLQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S.ClH/c1-13(14-3-5-16(6-4-14)24-12-11-22-2)20-18(21)17(19)15-7-9-23-10-8-15;/h3-6,13,15,17H,7-12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 388.96 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120792135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).