N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide

C29H25NO3 — CID 121085722

IUPACN-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide
SMILESCC(O)(CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H25NO3/c1-29(32,22-17-15-21(16-18-22)20-9-3-2-4-10-20)19-30-28(31)27-23-11-5-7-13-25(23)33-26-14-8-6-12-24(26)27/h2-18,27,32H,19H2,1H3,(H,30,31)
InChIKeyCUGOCVSASVLKSV-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.62
Rot. Bonds5

About N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide

N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide (PubChem CID 121085722) has the molecular formula C29H25NO3 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide
PubChem CID121085722
Molecular FormulaC29H25NO3
Molecular Weight435.52 g/mol
Exact Mass435.18
IUPAC NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide
SMILESCC(O)(CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H25NO3/c1-29(32,22-17-15-21(16-18-22)20-9-3-2-4-10-20)19-30-28(31)27-23-11-5-7-13-25(23)33-26-14-8-6-12-24(26)27/h2-18,27,32H,19H2,1H3,(H,30,31)
InChIKeyCUGOCVSASVLKSV-UHFFFAOYSA-N
XLogP5.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide (CID 121085722) is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide is CC(O)(CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide?
The InChIKey is CUGOCVSASVLKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO3/c1-29(32,22-17-15-21(16-18-22)20-9-3-2-4-10-20)19-30-28(31)27-23-11-5-7-13-25(23)33-26-14-8-6-12-24(26)27/h2-18,27,32H,19H2,1H3,(H,30,31).
What are the key properties of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide?
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 121085722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).