(3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide

C23H23NO2 — CID 135060890

IUPAC(3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide
SMILESO=C(C[C@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO2/c25-22(21-14-8-3-9-15-21)16-23(26)24(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-15,22,25H,16-18H2/t22-/m0/s1
InChIKeyJSFHWNIXBJJBQV-QFIPXVFZSA-N
MW345.44 g/mol
LogP4.34
Rot. Bonds7

About (3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide

(3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide (PubChem CID 135060890) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide
PubChem CID135060890
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide
SMILESO=C(C[C@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO2/c25-22(21-14-8-3-9-15-21)16-23(26)24(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-15,22,25H,16-18H2/t22-/m0/s1
InChIKeyJSFHWNIXBJJBQV-QFIPXVFZSA-N
XLogP4.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide
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(4S)-3-[(1S,2R)-2-azido-1-hydroxybutyl]-3-[(R)-hydroxy(phenyl)methyl]-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 44432122
(4S)-3-[(1R,2S)-2-azido-1-hydroxybutyl]-3-[(S)-hydroxy(phenyl)methyl]-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
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N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide?
The IUPAC name of (3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide (CID 135060890) is (3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide.
What is the SMILES notation for (3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide?
The canonical SMILES for (3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide is O=C(C[C@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide?
The InChIKey is JSFHWNIXBJJBQV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23NO2/c25-22(21-14-8-3-9-15-21)16-23(26)24(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-15,22,25H,16-18H2/t22-/m0/s1.
What are the key properties of (3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide?
(3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide has a molecular weight of 345.44 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dibenzyl-3-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 135060890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).