N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide

C13H25NO3 — CID 65155810

IUPACN-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCO)C(C)C)C1C
InChIInChI=1S/C13H25NO3/c1-8(2)14(6-7-15)13(16)12-9(3)10(4)17-11(12)5/h8-12,15H,6-7H2,1-5H3
InChIKeyPPLCDEOESUKAEX-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.28
Rot. Bonds4

About N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide

N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide (PubChem CID 65155810) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
PubChem CID65155810
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCO)C(C)C)C1C
InChIInChI=1S/C13H25NO3/c1-8(2)14(6-7-15)13(16)12-9(3)10(4)17-11(12)5/h8-12,15H,6-7H2,1-5H3
InChIKeyPPLCDEOESUKAEX-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide (CID 65155810) is N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide is CC1OC(C)C(C(=O)N(CCO)C(C)C)C1C.
What is the InChIKey of N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is PPLCDEOESUKAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-8(2)14(6-7-15)13(16)12-9(3)10(4)17-11(12)5/h8-12,15H,6-7H2,1-5H3.
What are the key properties of N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 65155810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).