3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide

C15H26N2OS — CID 81498910

IUPAC3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C15H26N2OS/c1-5-9-17-14(18)8-10-16-11-12-6-7-13(19-12)15(2,3)4/h6-7,16H,5,8-11H2,1-4H3,(H,17,18)
InChIKeyWCFBTYGJZURRTH-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.05
Rot. Bonds7

About 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide

3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide (PubChem CID 81498910) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
PubChem CID81498910
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C15H26N2OS/c1-5-9-17-14(18)8-10-16-11-12-6-7-13(19-12)15(2,3)4/h6-7,16H,5,8-11H2,1-4H3,(H,17,18)
InChIKeyWCFBTYGJZURRTH-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide (CID 81498910) is 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCc1ccc(C(C)(C)C)s1.
What is the InChIKey of 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide?
The InChIKey is WCFBTYGJZURRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-5-9-17-14(18)8-10-16-11-12-6-7-13(19-12)15(2,3)4/h6-7,16H,5,8-11H2,1-4H3,(H,17,18).
What are the key properties of 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide?
3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide has a molecular weight of 282.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 81498910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).