4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide

C15H24N2OS — CID 70407060

IUPAC4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide
SMILESCCSC(N)CCC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-2-19-14(16)10-11-15(18)17-12-6-9-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12,16H2,1H3,(H,17,18)
InChIKeyIAZJHLQEAJAUNY-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.55
Rot. Bonds9

About 4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide

4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide (PubChem CID 70407060) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide
PubChem CID70407060
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide
SMILESCCSC(N)CCC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-2-19-14(16)10-11-15(18)17-12-6-9-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12,16H2,1H3,(H,17,18)
InChIKeyIAZJHLQEAJAUNY-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
N-(4-phenylbutyl)hexanamide
CID 4985988
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide
CID 109020264
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide?
The IUPAC name of 4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide (CID 70407060) is 4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide is CCSC(N)CCC(=O)NCCCc1ccccc1.
What is the InChIKey of 4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide?
The InChIKey is IAZJHLQEAJAUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-19-14(16)10-11-15(18)17-12-6-9-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide?
4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide has a molecular weight of 280.44 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 70407060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).