3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide

C15H24N2OS — CID 115748796

IUPAC3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
SMILESCCSCCC(C)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-3-19-10-9-12(2)17-15(18)11-14(16)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11,16H2,1-2H3,(H,17,18)
InChIKeyGPIRARPBYFCIIV-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.72
Rot. Bonds8

About 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide

3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide (PubChem CID 115748796) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
PubChem CID115748796
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
SMILESCCSCCC(C)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-3-19-10-9-12(2)17-15(18)11-14(16)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11,16H2,1-2H3,(H,17,18)
InChIKeyGPIRARPBYFCIIV-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
CID 119948730
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
3-amino-N-(4-ethylsulfanylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 119952431
3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
CID 119952293
3-amino-N-(4-ethylsulfanylbutan-2-yl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119952430
3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119950764
3-amino-N-octan-4-yl-3-phenylpropanamide
CID 103823881
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 115665163
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869978

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide (CID 115748796) is 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide is CCSCCC(C)NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide?
The InChIKey is GPIRARPBYFCIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-19-10-9-12(2)17-15(18)11-14(16)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide?
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide has a molecular weight of 280.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 115748796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).