3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide

C13H23NO3 — CID 164630533

IUPAC3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide
SMILESCC1(O)CC(C(=O)NCC[C@H]2CCCCO2)C1
InChIInChI=1S/C13H23NO3/c1-13(16)8-10(9-13)12(15)14-6-5-11-4-2-3-7-17-11/h10-11,16H,2-9H2,1H3,(H,14,15)/t10?,11-,13?/m1/s1
InChIKeyZWDLFDYFNFPDAO-QWKFWESOSA-N
MW241.33 g/mol
LogP1.22
Rot. Bonds4

About 3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide

3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide (PubChem CID 164630533) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide
PubChem CID164630533
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide
SMILESCC1(O)CC(C(=O)NCC[C@H]2CCCCO2)C1
InChIInChI=1S/C13H23NO3/c1-13(16)8-10(9-13)12(15)14-6-5-11-4-2-3-7-17-11/h10-11,16H,2-9H2,1H3,(H,14,15)/t10?,11-,13?/m1/s1
InChIKeyZWDLFDYFNFPDAO-QWKFWESOSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide (CID 164630533) is 3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide is CC1(O)CC(C(=O)NCC[C@H]2CCCCO2)C1.
What is the InChIKey of 3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide?
The InChIKey is ZWDLFDYFNFPDAO-QWKFWESOSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(16)8-10(9-13)12(15)14-6-5-11-4-2-3-7-17-11/h10-11,16H,2-9H2,1H3,(H,14,15)/t10?,11-,13?/m1/s1.
What are the key properties of 3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide?
3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 164630533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).