N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide

C20H23NO3 — CID 97039942

IUPACN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide
SMILESO=C(N[C@@H]1C[C@H](CO)[C@H](O)C1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c22-13-16-11-17(12-18(16)23)21-20(24)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-19,22-23H,11-13H2,(H,21,24)/t16-,17-,18-/m1/s1
InChIKeyWMUAAZJXGNEHOY-KZNAEPCWSA-N
MW325.41 g/mol
LogP2.07
Rot. Bonds5

About N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide

N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide (PubChem CID 97039942) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide
PubChem CID97039942
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide
SMILESO=C(N[C@@H]1C[C@H](CO)[C@H](O)C1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c22-13-16-11-17(12-18(16)23)21-20(24)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-19,22-23H,11-13H2,(H,21,24)/t16-,17-,18-/m1/s1
InChIKeyWMUAAZJXGNEHOY-KZNAEPCWSA-N
XLogP2.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide (CID 97039942) is N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide is O=C(N[C@@H]1C[C@H](CO)[C@H](O)C1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide?
The InChIKey is WMUAAZJXGNEHOY-KZNAEPCWSA-N. The full InChI is InChI=1S/C20H23NO3/c22-13-16-11-17(12-18(16)23)21-20(24)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-19,22-23H,11-13H2,(H,21,24)/t16-,17-,18-/m1/s1.
What are the key properties of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide?
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide has a molecular weight of 325.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide is sourced from PubChem (CID 97039942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).