2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide

C15H24N2O2S — CID 51075578

IUPAC2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NCCc1cccs1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)14(19)17-9-4-7-13(18)16-10-8-12-6-5-11-20-12/h5-6,11H,4,7-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyHQFADDHVJXBFKP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.35
Rot. Bonds7

About 2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide

2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide (PubChem CID 51075578) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide
PubChem CID51075578
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NCCc1cccs1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)14(19)17-9-4-7-13(18)16-10-8-12-6-5-11-20-12/h5-6,11H,4,7-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyHQFADDHVJXBFKP-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.35
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 2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide (CID 51075578) is 2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide is CC(C)(C)C(=O)NCCCC(=O)NCCc1cccs1.
What is the InChIKey of 2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide?
The InChIKey is HQFADDHVJXBFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,3)14(19)17-9-4-7-13(18)16-10-8-12-6-5-11-20-12/h5-6,11H,4,7-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide?
2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide has a molecular weight of 296.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-oxo-4-(2-thiophen-2-ylethylamino)butyl]propanamide is sourced from PubChem (CID 51075578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).