N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide

C12H20N2O2S — CID 62056243

IUPACN-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
SMILESCOCCNC(=O)C(C)NCc1ccc(C)s1
InChIInChI=1S/C12H20N2O2S/c1-9-4-5-11(17-9)8-14-10(2)12(15)13-6-7-16-3/h4-5,10,14H,6-8H2,1-3H3,(H,13,15)
InChIKeyKEBARPMJCIPPKN-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.30
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide

N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide (PubChem CID 62056243) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
PubChem CID62056243
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
SMILESCOCCNC(=O)C(C)NCc1ccc(C)s1
InChIInChI=1S/C12H20N2O2S/c1-9-4-5-11(17-9)8-14-10(2)12(15)13-6-7-16-3/h4-5,10,14H,6-8H2,1-3H3,(H,13,15)
InChIKeyKEBARPMJCIPPKN-UHFFFAOYSA-N
XLogP1.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.30
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-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 61067131
N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
3-methoxy-2-[(5-methylthiophen-2-yl)methylamino]propanoic acid
CID 103248296
N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 61067130
2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 62475607
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931
(2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 28612946
N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61284998
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 105401683
N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106399027
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide (CID 62056243) is N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide is COCCNC(=O)C(C)NCc1ccc(C)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
The InChIKey is KEBARPMJCIPPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9-4-5-11(17-9)8-14-10(2)12(15)13-6-7-16-3/h4-5,10,14H,6-8H2,1-3H3,(H,13,15).
What are the key properties of N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide has a molecular weight of 256.37 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide is sourced from PubChem (CID 62056243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).