(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide

C25H27NO2 — CID 1330077

IUPAC(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide
SMILESCc1ccc(O)c([C@H](CC(=O)N[C@@H](C)Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H27NO2/c1-18-13-14-24(27)23(15-18)22(21-11-7-4-8-12-21)17-25(28)26-19(2)16-20-9-5-3-6-10-20/h3-15,19,22,27H,16-17H2,1-2H3,(H,26,28)/t19-,22+/m0/s1
InChIKeySJWBLBROXZZCCA-SIKLNZKXSA-N
MW373.50 g/mol
LogP4.97
Rot. Bonds7

About (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide

(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide (PubChem CID 1330077) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide.

Molecular Properties

Compound Name(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide
PubChem CID1330077
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide
SMILESCc1ccc(O)c([C@H](CC(=O)N[C@@H](C)Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H27NO2/c1-18-13-14-24(27)23(15-18)22(21-11-7-4-8-12-21)17-25(28)26-19(2)16-20-9-5-3-6-10-20/h3-15,19,22,27H,16-17H2,1-2H3,(H,26,28)/t19-,22+/m0/s1
InChIKeySJWBLBROXZZCCA-SIKLNZKXSA-N
XLogP4.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 27377336
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 7476976
4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid
CID 76553624
3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
(3R)-3-(3-hydroxy-4,5-dimethylphenyl)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7453278
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
4-[(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanoyl]piperazine-1-carbaldehyde
CID 2012457
N-[(2S)-pentan-2-yl]-3,3-diphenylpropanamide
CID 2268559
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide?
The IUPAC name of (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide (CID 1330077) is (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide.
What is the SMILES notation for (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide?
The canonical SMILES for (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide is Cc1ccc(O)c([C@H](CC(=O)N[C@@H](C)Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide?
The InChIKey is SJWBLBROXZZCCA-SIKLNZKXSA-N. The full InChI is InChI=1S/C25H27NO2/c1-18-13-14-24(27)23(15-18)22(21-11-7-4-8-12-21)17-25(28)26-19(2)16-20-9-5-3-6-10-20/h3-15,19,22,27H,16-17H2,1-2H3,(H,26,28)/t19-,22+/m0/s1.
What are the key properties of (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide?
(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide has a molecular weight of 373.50 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide is sourced from PubChem (CID 1330077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).