N-(2-ethylhexyl)oxolane-3-carboxamide

C13H25NO2 — CID 56820249

IUPACN-(2-ethylhexyl)oxolane-3-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CCOC1
InChIInChI=1S/C13H25NO2/c1-3-5-6-11(4-2)9-14-13(15)12-7-8-16-10-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyMHBDSUNABQRGHC-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.36
Rot. Bonds7

About N-(2-ethylhexyl)oxolane-3-carboxamide

N-(2-ethylhexyl)oxolane-3-carboxamide (PubChem CID 56820249) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-ethylhexyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)oxolane-3-carboxamide
PubChem CID56820249
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-ethylhexyl)oxolane-3-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CCOC1
InChIInChI=1S/C13H25NO2/c1-3-5-6-11(4-2)9-14-13(15)12-7-8-16-10-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyMHBDSUNABQRGHC-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-ethylhexyl)oxolane-3-carboxamide (CID 56820249) is N-(2-ethylhexyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)oxolane-3-carboxamide is CCCCC(CC)CNC(=O)C1CCOC1.
What is the InChIKey of N-(2-ethylhexyl)oxolane-3-carboxamide?
The InChIKey is MHBDSUNABQRGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-6-11(4-2)9-14-13(15)12-7-8-16-10-12/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-ethylhexyl)oxolane-3-carboxamide?
N-(2-ethylhexyl)oxolane-3-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)oxolane-3-carboxamide is sourced from PubChem (CID 56820249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).