(2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide

C17H25NO3 — CID 100612555

IUPAC(2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide
SMILESC[C@H](O)[C@@](C)(CNC(=O)[C@H]1CCCO1)Cc1ccccc1
InChIInChI=1S/C17H25NO3/c1-13(19)17(2,11-14-7-4-3-5-8-14)12-18-16(20)15-9-6-10-21-15/h3-5,7-8,13,15,19H,6,9-12H2,1-2H3,(H,18,20)/t13-,15+,17+/m0/s1
InChIKeyBXIUEVQCBWSHKK-YSVLISHTSA-N
MW291.39 g/mol
LogP1.91
Rot. Bonds6

About (2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide

(2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide (PubChem CID 100612555) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide
PubChem CID100612555
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide
SMILESC[C@H](O)[C@@](C)(CNC(=O)[C@H]1CCCO1)Cc1ccccc1
InChIInChI=1S/C17H25NO3/c1-13(19)17(2,11-14-7-4-3-5-8-14)12-18-16(20)15-9-6-10-21-15/h3-5,7-8,13,15,19H,6,9-12H2,1-2H3,(H,18,20)/t13-,15+,17+/m0/s1
InChIKeyBXIUEVQCBWSHKK-YSVLISHTSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide (CID 100612555) is (2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide is C[C@H](O)[C@@](C)(CNC(=O)[C@H]1CCCO1)Cc1ccccc1.
What is the InChIKey of (2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide?
The InChIKey is BXIUEVQCBWSHKK-YSVLISHTSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(19)17(2,11-14-7-4-3-5-8-14)12-18-16(20)15-9-6-10-21-15/h3-5,7-8,13,15,19H,6,9-12H2,1-2H3,(H,18,20)/t13-,15+,17+/m0/s1.
What are the key properties of (2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide?
(2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]oxolane-2-carboxamide is sourced from PubChem (CID 100612555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).