N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide

C12H23NO3 — CID 81002733

IUPACN-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1CCC(C)O1
InChIInChI=1S/C12H23NO3/c1-4-12(15,5-2)8-13-11(14)10-7-6-9(3)16-10/h9-10,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyDWZFYUBYYKYXAG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.22
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide

N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide (PubChem CID 81002733) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide
PubChem CID81002733
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1CCC(C)O1
InChIInChI=1S/C12H23NO3/c1-4-12(15,5-2)8-13-11(14)10-7-6-9(3)16-10/h9-10,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyDWZFYUBYYKYXAG-UHFFFAOYSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide
CID 115305753
N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide
CID 81330656
5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103773766
N-(3-carbamothioylpentan-3-yl)-5-methyloxolane-2-carboxamide
CID 81330043
5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide
CID 81330974
N-(3-amino-2-methylpropyl)-5-methyloxolane-2-carboxamide
CID 81324675
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-5-methyloxolane-2-carboxamide
CID 81327024
2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide
CID 114104231
N-[(2-bromocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 114312330
N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide
CID 106128505
5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide
CID 81330856
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide
CID 103969599

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide (CID 81002733) is N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide is CCC(O)(CC)CNC(=O)C1CCC(C)O1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide?
The InChIKey is DWZFYUBYYKYXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-12(15,5-2)8-13-11(14)10-7-6-9(3)16-10/h9-10,15H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81002733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).