N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide

C22H21NO2 — CID 41098012

IUPACN-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H21NO2/c24-20(16-17-10-4-1-5-11-17)23-21(18-12-6-2-7-13-18)22(25)19-14-8-3-9-15-19/h1-15,21-22,25H,16H2,(H,23,24)/t21-,22-/m0/s1
InChIKeyFMJDEVUCXSCMSF-VXKWHMMOSA-N
MW331.42 g/mol
LogP3.82
Rot. Bonds6

About N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide

N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide (PubChem CID 41098012) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide
PubChem CID41098012
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H21NO2/c24-20(16-17-10-4-1-5-11-17)23-21(18-12-6-2-7-13-18)22(25)19-14-8-3-9-15-19/h1-15,21-22,25H,16H2,(H,23,24)/t21-,22-/m0/s1
InChIKeyFMJDEVUCXSCMSF-VXKWHMMOSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide?
The IUPAC name of N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide (CID 41098012) is N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide is O=C(Cc1ccccc1)N[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide?
The InChIKey is FMJDEVUCXSCMSF-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H21NO2/c24-20(16-17-10-4-1-5-11-17)23-21(18-12-6-2-7-13-18)22(25)19-14-8-3-9-15-19/h1-15,21-22,25H,16H2,(H,23,24)/t21-,22-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide?
N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide has a molecular weight of 331.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide is sourced from PubChem (CID 41098012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).