(2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide

C24H33NO3 — CID 11257588

IUPAC(2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide
SMILESC[C@H](COCc1ccccc1)C[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C24H33NO3/c1-18(16-28-17-21-11-7-5-8-12-21)15-19(2)24(27)25(4)20(3)23(26)22-13-9-6-10-14-22/h5-14,18-20,23,26H,15-17H2,1-4H3/t18-,19+,20-,23+/m0/s1
InChIKeyUHJHEVPCMFVGPS-FAKFISEUSA-N
MW383.53 g/mol
LogP4.45
Rot. Bonds10

About (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide

(2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide (PubChem CID 11257588) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide.

Molecular Properties

Compound Name(2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide
PubChem CID11257588
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name(2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide
SMILESC[C@H](COCc1ccccc1)C[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C24H33NO3/c1-18(16-28-17-21-11-7-5-8-12-21)15-19(2)24(27)25(4)20(3)23(26)22-13-9-6-10-14-22/h5-14,18-20,23,26H,15-17H2,1-4H3/t18-,19+,20-,23+/m0/s1
InChIKeyUHJHEVPCMFVGPS-FAKFISEUSA-N
XLogP4.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide?
The IUPAC name of (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide (CID 11257588) is (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide.
What is the SMILES notation for (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide?
The canonical SMILES for (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide is C[C@H](COCc1ccccc1)C[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide?
The InChIKey is UHJHEVPCMFVGPS-FAKFISEUSA-N. The full InChI is InChI=1S/C24H33NO3/c1-18(16-28-17-21-11-7-5-8-12-21)15-19(2)24(27)25(4)20(3)23(26)22-13-9-6-10-14-22/h5-14,18-20,23,26H,15-17H2,1-4H3/t18-,19+,20-,23+/m0/s1.
What are the key properties of (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide?
(2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide has a molecular weight of 383.53 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylmethoxypentanamide is sourced from PubChem (CID 11257588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).