N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide

C14H23NO3 — CID 164639214

IUPACN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide
SMILESCc1cc([C@@H](O)CNC(=O)CC(C)(C)C)c(C)o1
InChIInChI=1S/C14H23NO3/c1-9-6-11(10(2)18-9)12(16)8-15-13(17)7-14(3,4)5/h6,12,16H,7-8H2,1-5H3,(H,15,17)/t12-/m0/s1
InChIKeyXRYOCEMTDDLUGU-LBPRGKRZSA-N
MW253.34 g/mol
LogP2.48
Rot. Bonds4

About N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide

N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide (PubChem CID 164639214) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide
PubChem CID164639214
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide
SMILESCc1cc([C@@H](O)CNC(=O)CC(C)(C)C)c(C)o1
InChIInChI=1S/C14H23NO3/c1-9-6-11(10(2)18-9)12(16)8-15-13(17)7-14(3,4)5/h6,12,16H,7-8H2,1-5H3,(H,15,17)/t12-/m0/s1
InChIKeyXRYOCEMTDDLUGU-LBPRGKRZSA-N
XLogP2.48
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide (CID 164639214) is N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide is Cc1cc([C@@H](O)CNC(=O)CC(C)(C)C)c(C)o1.
What is the InChIKey of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide?
The InChIKey is XRYOCEMTDDLUGU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-6-11(10(2)18-9)12(16)8-15-13(17)7-14(3,4)5/h6,12,16H,7-8H2,1-5H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide?
N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide has a molecular weight of 253.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 164639214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).