N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride

C17H23ClN2OS — CID 120884701

IUPACN-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)N(CCN)CCc2ccccc2)s1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-14-7-8-16(21-14)13-17(20)19(12-10-18)11-9-15-5-3-2-4-6-15;/h2-8H,9-13,18H2,1H3;1H
InChIKeyOEGRQHOBDUIERH-UHFFFAOYSA-N
MW338.90 g/mol
LogP3.05
Rot. Bonds7

About N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride

N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride (PubChem CID 120884701) has the molecular formula C17H23ClN2OS and a molecular weight of 338.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
PubChem CID120884701
Molecular FormulaC17H23ClN2OS
Molecular Weight338.90 g/mol
Exact Mass338.12
IUPAC NameN-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)N(CCN)CCc2ccccc2)s1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-14-7-8-16(21-14)13-17(20)19(12-10-18)11-9-15-5-3-2-4-6-15;/h2-8H,9-13,18H2,1H3;1H
InChIKeyOEGRQHOBDUIERH-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
N-(2-aminoethyl)-2-(2-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885855
4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
CID 120587303
N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide
CID 120886994
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride (CID 120884701) is N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride is Cc1ccc(CC(=O)N(CCN)CCc2ccccc2)s1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is OEGRQHOBDUIERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS.ClH/c1-14-7-8-16(21-14)13-17(20)19(12-10-18)11-9-15-5-3-2-4-6-15;/h2-8H,9-13,18H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 338.90 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 120884701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).