(2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide

C16H21NO3 — CID 164633677

IUPAC(2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide
SMILESO=C(NC[C@H]1CCCO1)[C@H]1OCC[C@H]1c1ccccc1
InChIInChI=1S/C16H21NO3/c18-16(17-11-13-7-4-9-19-13)15-14(8-10-20-15)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,17,18)/t13-,14+,15+/m1/s1
InChIKeyJQWYLLYAMJGSTI-ILXRZTDVSA-N
MW275.35 g/mol
LogP1.85
Rot. Bonds4

About (2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide

(2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide (PubChem CID 164633677) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide
PubChem CID164633677
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide
SMILESO=C(NC[C@H]1CCCO1)[C@H]1OCC[C@H]1c1ccccc1
InChIInChI=1S/C16H21NO3/c18-16(17-11-13-7-4-9-19-13)15-14(8-10-20-15)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,17,18)/t13-,14+,15+/m1/s1
InChIKeyJQWYLLYAMJGSTI-ILXRZTDVSA-N
XLogP1.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide?
The IUPAC name of (2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide (CID 164633677) is (2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide?
The canonical SMILES for (2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide is O=C(NC[C@H]1CCCO1)[C@H]1OCC[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide?
The InChIKey is JQWYLLYAMJGSTI-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(17-11-13-7-4-9-19-13)15-14(8-10-20-15)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,17,18)/t13-,14+,15+/m1/s1.
What are the key properties of (2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide?
(2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide is sourced from PubChem (CID 164633677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).