N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide

C14H24N2O2S — CID 66385918

IUPACN-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCCOCC(C)C
InChIInChI=1S/C14H24N2O2S/c1-11(2)10-18-7-4-6-15-9-14-13(5-8-19-14)16-12(3)17/h5,8,11,15H,4,6-7,9-10H2,1-3H3,(H,16,17)
InChIKeyMETMESABAJYPQY-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.86
Rot. Bonds9

About N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide

N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide (PubChem CID 66385918) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide
PubChem CID66385918
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCCOCC(C)C
InChIInChI=1S/C14H24N2O2S/c1-11(2)10-18-7-4-6-15-9-14-13(5-8-19-14)16-12(3)17/h5,8,11,15H,4,6-7,9-10H2,1-3H3,(H,16,17)
InChIKeyMETMESABAJYPQY-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.86
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-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931
N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114465669
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[(2-cyclohexyloxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386410
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114174810
N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 66387407
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385102

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide (CID 66385918) is N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCCCOCC(C)C.
What is the InChIKey of N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide?
The InChIKey is METMESABAJYPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)10-18-7-4-6-15-9-14-13(5-8-19-14)16-12(3)17/h5,8,11,15H,4,6-7,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide?
N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide has a molecular weight of 284.42 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66385918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).