3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride

C14H23ClN2OS — CID 120610929

IUPAC3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride
SMILESCSC(C)(C)CNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-14(2,18-3)10-16-13(17)9-8-11-6-4-5-7-12(11)15;/h4-7H,8-10,15H2,1-3H3,(H,16,17);1H
InChIKeyRLOQFZPZRIHBCC-UHFFFAOYSA-N
MW302.87 g/mol
LogP2.88
Rot. Bonds6

About 3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride (PubChem CID 120610929) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride
PubChem CID120610929
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride
SMILESCSC(C)(C)CNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-14(2,18-3)10-16-13(17)9-8-11-6-4-5-7-12(11)15;/h4-7H,8-10,15H2,1-3H3,(H,16,17);1H
InChIKeyRLOQFZPZRIHBCC-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
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CID 120610225
3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide
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N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
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3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
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3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610551
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride
CID 120609255
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
3-(2-aminophenyl)-N-[[2-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120611481
3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide
CID 107273388
3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
CID 65042808

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride (CID 120610929) is 3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride is CSC(C)(C)CNC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride?
The InChIKey is RLOQFZPZRIHBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c1-14(2,18-3)10-16-13(17)9-8-11-6-4-5-7-12(11)15;/h4-7H,8-10,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 120610929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).