3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide

C15H27NOS — CID 122412828

IUPAC3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)CCC1C=CCS1
InChIInChI=1S/C15H27NOS/c1-3-5-7-13(4-2)12-16-15(17)10-9-14-8-6-11-18-14/h6,8,13-14H,3-5,7,9-12H2,1-2H3,(H,16,17)
InChIKeyRHXXFNMDHABLRR-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.77
Rot. Bonds9

About 3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide

3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide (PubChem CID 122412828) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide
PubChem CID122412828
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)CCC1C=CCS1
InChIInChI=1S/C15H27NOS/c1-3-5-7-13(4-2)12-16-15(17)10-9-14-8-6-11-18-14/h6,8,13-14H,3-5,7,9-12H2,1-2H3,(H,16,17)
InChIKeyRHXXFNMDHABLRR-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide?
The IUPAC name of 3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide (CID 122412828) is 3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide.
What is the SMILES notation for 3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide?
The canonical SMILES for 3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide is CCCCC(CC)CNC(=O)CCC1C=CCS1.
What is the InChIKey of 3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide?
The InChIKey is RHXXFNMDHABLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-3-5-7-13(4-2)12-16-15(17)10-9-14-8-6-11-18-14/h6,8,13-14H,3-5,7,9-12H2,1-2H3,(H,16,17).
What are the key properties of 3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide?
3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide has a molecular weight of 269.45 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydrothiophen-2-yl)-N-(2-ethylhexyl)propanamide is sourced from PubChem (CID 122412828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).