N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide

C30H27NO2 — CID 10550752

IUPACN-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide
SMILESO=C(N[C@H]1c2ccc(O)cc2CC[C@@H]1c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27NO2/c32-25-17-19-27-24(20-25)16-18-26(21-10-4-1-5-11-21)29(27)31-30(33)28(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,17,19-20,26,28-29,32H,16,18H2,(H,31,33)/t26-,29-/m1/s1
InChIKeyHUPLWXPMAHRRPY-GGXMVOPNSA-N
MW433.55 g/mol
LogP6.11
Rot. Bonds5

About N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide

N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide (PubChem CID 10550752) has the molecular formula C30H27NO2 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide
PubChem CID10550752
Molecular FormulaC30H27NO2
Molecular Weight433.55 g/mol
Exact Mass433.20
IUPAC NameN-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide
SMILESO=C(N[C@H]1c2ccc(O)cc2CC[C@@H]1c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H27NO2/c32-25-17-19-27-24(20-25)16-18-26(21-10-4-1-5-11-21)29(27)31-30(33)28(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,17,19-20,26,28-29,32H,16,18H2,(H,31,33)/t26-,29-/m1/s1
InChIKeyHUPLWXPMAHRRPY-GGXMVOPNSA-N
XLogP6.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide (CID 10550752) is N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide is O=C(N[C@H]1c2ccc(O)cc2CC[C@@H]1c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide?
The InChIKey is HUPLWXPMAHRRPY-GGXMVOPNSA-N. The full InChI is InChI=1S/C30H27NO2/c32-25-17-19-27-24(20-25)16-18-26(21-10-4-1-5-11-21)29(27)31-30(33)28(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,17,19-20,26,28-29,32H,16,18H2,(H,31,33)/t26-,29-/m1/s1.
What are the key properties of N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide?
N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide has a molecular weight of 433.55 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 10550752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).