2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide

C16H28N2OS — CID 78963633

IUPAC2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCC(C)(C)c1cccs1
InChIInChI=1S/C16H28N2OS/c1-5-6-7-10-17-15(19)13(2)18-12-16(3,4)14-9-8-11-20-14/h8-9,11,13,18H,5-7,10,12H2,1-4H3,(H,17,19)
InChIKeyQWLATFNRJHUADR-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.31
Rot. Bonds9

About 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide

2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide (PubChem CID 78963633) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide
PubChem CID78963633
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCC(C)(C)c1cccs1
InChIInChI=1S/C16H28N2OS/c1-5-6-7-10-17-15(19)13(2)18-12-16(3,4)14-9-8-11-20-14/h8-9,11,13,18H,5-7,10,12H2,1-4H3,(H,17,19)
InChIKeyQWLATFNRJHUADR-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.31
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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Related Compounds

N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963907
N-(2-methylpropyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963769
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide
CID 78963148
2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-3-pentylguanidine;hydroiodide
CID 111582712
2-[(2-hydroxy-2-methylbutyl)amino]-N-pentylpropanamide
CID 65111805
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
methyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoate
CID 115353516
2-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide;hydrochloride
CID 119787670
3-methoxy-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanoic acid
CID 103257586
2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid
CID 103257602
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 80525988

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide?
The IUPAC name of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide (CID 78963633) is 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide.
What is the SMILES notation for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide?
The canonical SMILES for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide is CCCCCNC(=O)C(C)NCC(C)(C)c1cccs1.
What is the InChIKey of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide?
The InChIKey is QWLATFNRJHUADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-6-7-10-17-15(19)13(2)18-12-16(3,4)14-9-8-11-20-14/h8-9,11,13,18H,5-7,10,12H2,1-4H3,(H,17,19).
What are the key properties of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide?
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide has a molecular weight of 296.48 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide is sourced from PubChem (CID 78963633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).