N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide

C12H20N2O2S — CID 113409977

IUPACN-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide
SMILESCOCCNC(=O)CCNCCc1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-16-8-7-14-12(15)3-6-13-5-2-11-4-9-17-10-11/h4,9-10,13H,2-3,5-8H2,1H3,(H,14,15)
InChIKeyWPLXWDUZFONFPK-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.03
Rot. Bonds9

About N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide

N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide (PubChem CID 113409977) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide
PubChem CID113409977
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide
SMILESCOCCNC(=O)CCNCCc1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-16-8-7-14-12(15)3-6-13-5-2-11-4-9-17-10-11/h4,9-10,13H,2-3,5-8H2,1H3,(H,14,15)
InChIKeyWPLXWDUZFONFPK-UHFFFAOYSA-N
XLogP1.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.03
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

methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778
N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide
CID 113411312
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
3-[2-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 109015003
4-methoxy-2-(2-thiophen-3-ylethylcarbamoylamino)butanoic acid
CID 55076436
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
3-(2-methoxyethylamino)-N-(3-phenylpropyl)propanamide
CID 109015207
N-(2-methoxyethyl)-2-[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]acetamide
CID 111939601
ethyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 64579329
N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62554315
1-(2-methoxyethylamino)-3-methyl-5-thiophen-3-ylpentan-3-ol
CID 66003686
methyl 4-[(2-thiophen-3-ylethylamino)methyl]benzoate
CID 60976725

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide (CID 113409977) is N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide is COCCNC(=O)CCNCCc1ccsc1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide?
The InChIKey is WPLXWDUZFONFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-16-8-7-14-12(15)3-6-13-5-2-11-4-9-17-10-11/h4,9-10,13H,2-3,5-8H2,1H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide?
N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide has a molecular weight of 256.37 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide is sourced from PubChem (CID 113409977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).