N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide

C11H24N2O2S — CID 115760932

IUPACN-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide
SMILESCOCCCNC(=O)C(C)NCC(C)SC
InChIInChI=1S/C11H24N2O2S/c1-9(16-4)8-13-10(2)11(14)12-6-5-7-15-3/h9-10,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyHEEGZYZZCUILNN-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.87
Rot. Bonds9

About N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide

N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide (PubChem CID 115760932) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide
PubChem CID115760932
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide
SMILESCOCCCNC(=O)C(C)NCC(C)SC
InChIInChI=1S/C11H24N2O2S/c1-9(16-4)8-13-10(2)11(14)12-6-5-7-15-3/h9-10,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyHEEGZYZZCUILNN-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide
CID 114127252
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
CID 43113238
N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724771
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
N-(2-methoxyethyl)-2-(2-methylbutylamino)propanamide
CID 62694565
N-(3-methoxypropyl)-2-[(4-methylcyclohexyl)methylamino]propanamide
CID 61490757
N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372145
1-(3-methoxypropyl)-3-(3-methylsulfanylbutyl)thiourea
CID 115604044

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide (CID 115760932) is N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide is COCCCNC(=O)C(C)NCC(C)SC.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide?
The InChIKey is HEEGZYZZCUILNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(16-4)8-13-10(2)11(14)12-6-5-7-15-3/h9-10,13H,5-8H2,1-4H3,(H,12,14).
What are the key properties of N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide?
N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide has a molecular weight of 248.39 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide is sourced from PubChem (CID 115760932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).