(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide

C20H25NO3 — CID 134936429

IUPAC(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide
SMILESC[C@H](COCc1ccccc1)C(=O)N[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-15(13-24-14-17-9-5-3-6-10-17)20(23)21-16(2)19(22)18-11-7-4-8-12-18/h3-12,15-16,19,22H,13-14H2,1-2H3,(H,21,23)/t15-,16+,19-/m1/s1
InChIKeyDSYKCLZJQDPQKM-JTDSTZFVSA-N
MW327.42 g/mol
LogP3.08
Rot. Bonds8

About (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide

(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide (PubChem CID 134936429) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide
PubChem CID134936429
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide
SMILESC[C@H](COCc1ccccc1)C(=O)N[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-15(13-24-14-17-9-5-3-6-10-17)20(23)21-16(2)19(22)18-11-7-4-8-12-18/h3-12,15-16,19,22H,13-14H2,1-2H3,(H,21,23)/t15-,16+,19-/m1/s1
InChIKeyDSYKCLZJQDPQKM-JTDSTZFVSA-N
XLogP3.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
tert-butyl N-[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 124545804
2-methyl-N-[1-(methylamino)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 171594170
(2S)-2-(2-bromopropanoylamino)-3-phenylmethoxypropanoic acid
CID 141127685
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylmethoxypropanoic acid
CID 71421898
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047
3-hydroxy-2-methyl-1-phenyl-4-phenylmethoxybutan-1-one
CID 13378871
benzyl N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamate
CID 67105648
benzyl N-[(1R,2S)-1-hydroxy-1-pyridin-4-ylpropan-2-yl]carbamate
CID 86630532
(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoic acid
CID 59970231

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide?
The IUPAC name of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide (CID 134936429) is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide.
What is the SMILES notation for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide?
The canonical SMILES for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide is C[C@H](COCc1ccccc1)C(=O)N[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide?
The InChIKey is DSYKCLZJQDPQKM-JTDSTZFVSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15(13-24-14-17-9-5-3-6-10-17)20(23)21-16(2)19(22)18-11-7-4-8-12-18/h3-12,15-16,19,22H,13-14H2,1-2H3,(H,21,23)/t15-,16+,19-/m1/s1.
What are the key properties of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide?
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide has a molecular weight of 327.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide is sourced from PubChem (CID 134936429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).