3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide

C15H24N2O2S — CID 111496944

IUPAC3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCN(C)CCC(C)O
InChIInChI=1S/C15H24N2O2S/c1-12(18)8-10-17(2)11-9-15(19)16-13-6-4-5-7-14(13)20-3/h4-7,12,18H,8-11H2,1-3H3,(H,16,19)
InChIKeyCATHCRXKLFHMIE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.44
Rot. Bonds8

About 3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide

3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 111496944) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
PubChem CID111496944
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCN(C)CCC(C)O
InChIInChI=1S/C15H24N2O2S/c1-12(18)8-10-17(2)11-9-15(19)16-13-6-4-5-7-14(13)20-3/h4-7,12,18H,8-11H2,1-3H3,(H,16,19)
InChIKeyCATHCRXKLFHMIE-UHFFFAOYSA-N
XLogP2.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 37423353
3-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 24589134
N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488616
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 115665846
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 51303066
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
CID 79204978
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 56525115

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide (CID 111496944) is 3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)CCN(C)CCC(C)O.
What is the InChIKey of 3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is CATHCRXKLFHMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(18)8-10-17(2)11-9-15(19)16-13-6-4-5-7-14(13)20-3/h4-7,12,18H,8-11H2,1-3H3,(H,16,19).
What are the key properties of 3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide?
3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 296.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 111496944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).