(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide

C23H23NO2 — CID 27377336

IUPAC(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(O)c([C@H](CC(=O)NCc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H23NO2/c1-17-12-13-22(25)21(14-17)20(19-10-6-3-7-11-19)15-23(26)24-16-18-8-4-2-5-9-18/h2-14,20,25H,15-16H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeySATMBNQOXWPQSE-HXUWFJFHSA-N
MW345.44 g/mol
LogP4.54
Rot. Bonds6

About (3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide

(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide (PubChem CID 27377336) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
PubChem CID27377336
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(O)c([C@H](CC(=O)NCc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H23NO2/c1-17-12-13-22(25)21(14-17)20(19-10-6-3-7-11-19)15-23(26)24-16-18-8-4-2-5-9-18/h2-14,20,25H,15-16H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeySATMBNQOXWPQSE-HXUWFJFHSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 7476976
(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 1330077
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide
CID 14212844
3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
CID 63324909
2-[(1S)-3-hydroxy-1-phenylpropyl]-4-methylphenol
CID 16754102
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide (CID 27377336) is (3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide is Cc1ccc(O)c([C@H](CC(=O)NCc2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
The InChIKey is SATMBNQOXWPQSE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23NO2/c1-17-12-13-22(25)21(14-17)20(19-10-6-3-7-11-19)15-23(26)24-16-18-8-4-2-5-9-18/h2-14,20,25H,15-16H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide has a molecular weight of 345.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 27377336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).