N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide

C19H21NO2 — CID 12601075

IUPACN-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide
SMILESCC(=O)NC1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-14(21)20-17-12-18(15-8-4-2-5-9-15)22-19(13-17)16-10-6-3-7-11-16/h2-11,17-19H,12-13H2,1H3,(H,20,21)/t17?,18-,19+
InChIKeyGMMGIJDSULCMGY-YQQQUEKLSA-N
MW295.38 g/mol
LogP3.78
Rot. Bonds3

About N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide

N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide (PubChem CID 12601075) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide
PubChem CID12601075
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide
SMILESCC(=O)NC1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-14(21)20-17-12-18(15-8-4-2-5-9-15)22-19(13-17)16-10-6-3-7-11-16/h2-11,17-19H,12-13H2,1H3,(H,20,21)/t17?,18-,19+
InChIKeyGMMGIJDSULCMGY-YQQQUEKLSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide?
The IUPAC name of N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide (CID 12601075) is N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide is CC(=O)NC1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)C1.
What is the InChIKey of N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide?
The InChIKey is GMMGIJDSULCMGY-YQQQUEKLSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(21)20-17-12-18(15-8-4-2-5-9-15)22-19(13-17)16-10-6-3-7-11-16/h2-11,17-19H,12-13H2,1H3,(H,20,21)/t17?,18-,19+.
What are the key properties of N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide?
N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide has a molecular weight of 295.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide is sourced from PubChem (CID 12601075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).