N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide

C13H28N2O2S — CID 114127252

IUPACN-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide
SMILESCOCCCNC(=O)C(C)NCCCCCSC
InChIInChI=1S/C13H28N2O2S/c1-12(13(16)15-9-7-10-17-2)14-8-5-4-6-11-18-3/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyCPNRXUIHMRBQFH-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.65
Rot. Bonds12

About N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide

N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide (PubChem CID 114127252) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide
PubChem CID114127252
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide
SMILESCOCCCNC(=O)C(C)NCCCCCSC
InChIInChI=1S/C13H28N2O2S/c1-12(13(16)15-9-7-10-17-2)14-8-5-4-6-11-18-3/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyCPNRXUIHMRBQFH-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.65
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

2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide
CID 114125405
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide
CID 115760932
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
CID 43113238
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502
N-butan-2-yl-2-(5-methylsulfanylpentylamino)propanamide
CID 114127259
2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide
CID 114127230
2-(2-cyclopentyloxyethylamino)-N-(3-methoxypropyl)propanamide
CID 55259532
N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724771
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide (CID 114127252) is N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide is COCCCNC(=O)C(C)NCCCCCSC.
What is the InChIKey of N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide?
The InChIKey is CPNRXUIHMRBQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(13(16)15-9-7-10-17-2)14-8-5-4-6-11-18-3/h12,14H,4-11H2,1-3H3,(H,15,16).
What are the key properties of N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide?
N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide has a molecular weight of 276.45 g/mol, XLogP of 1.65, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide is sourced from PubChem (CID 114127252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).