3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide

C15H24N2O2S — CID 115985181

IUPAC3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide
SMILESCCC(CSC)N(C)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H24N2O2S/c1-4-13(11-20-3)17(2)15(18)8-9-19-14-7-5-6-12(16)10-14/h5-7,10,13H,4,8-9,11,16H2,1-3H3
InChIKeyYDFMURUZVXGXHV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.64
Rot. Bonds8

About 3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide

3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide (PubChem CID 115985181) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide
PubChem CID115985181
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide
SMILESCCC(CSC)N(C)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H24N2O2S/c1-4-13(11-20-3)17(2)15(18)8-9-19-14-7-5-6-12(16)10-14/h5-7,10,13H,4,8-9,11,16H2,1-3H3
InChIKeyYDFMURUZVXGXHV-UHFFFAOYSA-N
XLogP2.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 113472643
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
3-(3-aminophenoxy)-N-ethyl-N-phenylpropanamide
CID 61090934
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 61094495
3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 61118042
N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093681
2-methylbutyl 3-(3-aminophenoxy)propanoate
CID 62103864
3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61116829
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide (CID 115985181) is 3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide is CCC(CSC)N(C)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is YDFMURUZVXGXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-13(11-20-3)17(2)15(18)8-9-19-14-7-5-6-12(16)10-14/h5-7,10,13H,4,8-9,11,16H2,1-3H3.
What are the key properties of 3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide?
3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide has a molecular weight of 296.44 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 115985181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).