3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide

C16H26N2OS — CID 103812535

IUPAC3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide
SMILESCCC(CC)(CNC(=O)C(CN)c1ccccc1)SC
InChIInChI=1S/C16H26N2OS/c1-4-16(5-2,20-3)12-18-15(19)14(11-17)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12,17H2,1-3H3,(H,18,19)
InChIKeyVTIAUJARQOCLCF-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.77
Rot. Bonds8

About 3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide

3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide (PubChem CID 103812535) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide
PubChem CID103812535
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide
SMILESCCC(CC)(CNC(=O)C(CN)c1ccccc1)SC
InChIInChI=1S/C16H26N2OS/c1-4-16(5-2,20-3)12-18-15(19)14(11-17)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12,17H2,1-3H3,(H,18,19)
InChIKeyVTIAUJARQOCLCF-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide
CID 103797832
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
3-amino-N-(2-methyl-2-phenylpropyl)-2-phenylpropanamide;hydrochloride
CID 119724299
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide
CID 66174479
5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
CID 106235045
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224383
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224288
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide
CID 80526634
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
CID 106151577
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide (CID 103812535) is 3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide is CCC(CC)(CNC(=O)C(CN)c1ccccc1)SC.
What is the InChIKey of 3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide?
The InChIKey is VTIAUJARQOCLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-16(5-2,20-3)12-18-15(19)14(11-17)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide?
3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide has a molecular weight of 294.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide is sourced from PubChem (CID 103812535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).