N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide

C15H24N2OS — CID 120886262

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-2-12-19-13-15(18)17(11-9-16)10-8-14-6-4-3-5-7-14/h3-7H,2,8-13,16H2,1H3
InChIKeyXEUBSXFNBNMEQK-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.16
Rot. Bonds9

About N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide

N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide (PubChem CID 120886262) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide
PubChem CID120886262
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-2-12-19-13-15(18)17(11-9-16)10-8-14-6-4-3-5-7-14/h3-7H,2,8-13,16H2,1H3
InChIKeyXEUBSXFNBNMEQK-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120886571
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-2-(2-ethoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 120884950
2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
CID 43249408
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120886492

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide (CID 120886262) is N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide is CCCSCC(=O)N(CCN)CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide?
The InChIKey is XEUBSXFNBNMEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-12-19-13-15(18)17(11-9-16)10-8-14-6-4-3-5-7-14/h3-7H,2,8-13,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide has a molecular weight of 280.44 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide is sourced from PubChem (CID 120886262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).