N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide

C13H22N2OS — CID 113411312

IUPACN,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCCc1ccsc1
InChIInChI=1S/C13H22N2OS/c1-3-15(4-2)13(16)6-9-14-8-5-12-7-10-17-11-12/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyHTOPWYSYIQRFED-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.14
Rot. Bonds8

About N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide

N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide (PubChem CID 113411312) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide
PubChem CID113411312
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCCc1ccsc1
InChIInChI=1S/C13H22N2OS/c1-3-15(4-2)13(16)6-9-14-8-5-12-7-10-17-11-12/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyHTOPWYSYIQRFED-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 64579329
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
N-butyl-N-ethyl-3-thiophen-3-ylpropanamide
CID 86978752
N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide
CID 113409977
methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62554315
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
CID 78808455
3-(2-phenylethylamino)-N,N-dipropylpropanamide
CID 109024274
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide (CID 113411312) is N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide is CCN(CC)C(=O)CCNCCc1ccsc1.
What is the InChIKey of N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide?
The InChIKey is HTOPWYSYIQRFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-15(4-2)13(16)6-9-14-8-5-12-7-10-17-11-12/h7,10-11,14H,3-6,8-9H2,1-2H3.
What are the key properties of N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide?
N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide is sourced from PubChem (CID 113411312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).