N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide

C25H23NO3 — CID 90535464

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H23NO3/c27-24(26-16-25(28,18-14-15-18)17-8-2-1-3-9-17)23-19-10-4-6-12-21(19)29-22-13-7-5-11-20(22)23/h1-13,18,23,28H,14-16H2,(H,26,27)
InChIKeyGZHKHPWNTLZVQD-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.34
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide (PubChem CID 90535464) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide
PubChem CID90535464
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H23NO3/c27-24(26-16-25(28,18-14-15-18)17-8-2-1-3-9-17)23-19-10-4-6-12-21(19)29-22-13-7-5-11-20(22)23/h1-13,18,23,28H,14-16H2,(H,26,27)
InChIKeyGZHKHPWNTLZVQD-UHFFFAOYSA-N
XLogP4.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-hydroxy-2-(4-phenylphenyl)propyl]-9H-xanthene-9-carboxamide
CID 121085722
N-(2-hydroxy-3-methoxy-2-methylpropyl)-9H-xanthene-9-carboxamide
CID 90501021
N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide
CID 42145603
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide
CID 90535556
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide
CID 90535391
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide
CID 90535558
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 95379595
2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
CID 71806388
N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 752957
N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide
CID 71787480
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(dimethylamino)benzamide
CID 71788754

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide (CID 90535464) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide is O=C(NCC(O)(c1ccccc1)C1CC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide?
The InChIKey is GZHKHPWNTLZVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c27-24(26-16-25(28,18-14-15-18)17-8-2-1-3-9-17)23-19-10-4-6-12-21(19)29-22-13-7-5-11-20(22)23/h1-13,18,23,28H,14-16H2,(H,26,27).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 90535464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).