N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide

C22H27NO2 — CID 50960196

IUPACN-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2ccccc2-c2ccccc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C22H27NO2/c1-15(2)21-13-18(23-16(3)24)14-22(25-21)20-12-8-7-11-19(20)17-9-5-4-6-10-17/h4-12,15,18,21-22H,13-14H2,1-3H3,(H,23,24)/t18-,21-,22+/m1/s1
InChIKeyXHFPKMCJMQBFGB-QIJUGHKUSA-N
MW337.46 g/mol
LogP4.73
Rot. Bonds4

About N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide

N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide (PubChem CID 50960196) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide
PubChem CID50960196
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2ccccc2-c2ccccc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C22H27NO2/c1-15(2)21-13-18(23-16(3)24)14-22(25-21)20-12-8-7-11-19(20)17-9-5-4-6-10-17/h4-12,15,18,21-22H,13-14H2,1-3H3,(H,23,24)/t18-,21-,22+/m1/s1
InChIKeyXHFPKMCJMQBFGB-QIJUGHKUSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide (CID 50960196) is N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2ccccc2-c2ccccc2)O[C@@H](C(C)C)C1.
What is the InChIKey of N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
The InChIKey is XHFPKMCJMQBFGB-QIJUGHKUSA-N. The full InChI is InChI=1S/C22H27NO2/c1-15(2)21-13-18(23-16(3)24)14-22(25-21)20-12-8-7-11-19(20)17-9-5-4-6-10-17/h4-12,15,18,21-22H,13-14H2,1-3H3,(H,23,24)/t18-,21-,22+/m1/s1.
What are the key properties of N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide has a molecular weight of 337.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6R)-2-(2-phenylphenyl)-6-propan-2-yloxan-4-yl]acetamide is sourced from PubChem (CID 50960196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).