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

C23H31NO2 — CID 10915209

IUPAC(2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide
SMILESC[C@H](Cc1ccccc1)C[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-17(16-20-11-7-5-8-12-20)15-18(2)23(26)24(4)19(3)22(25)21-13-9-6-10-14-21/h5-14,17-19,22,25H,15-16H2,1-4H3/t17-,18+,19-,22+/m0/s1
InChIKeyBCIFSIXQXRFGBI-LMVRJCEZSA-N
MW353.51 g/mol
LogP4.47
Rot. Bonds8

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

(2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide (PubChem CID 10915209) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide.

Molecular Properties

Compound Name(2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide
PubChem CID10915209
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name(2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide
SMILESC[C@H](Cc1ccccc1)C[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-17(16-20-11-7-5-8-12-20)15-18(2)23(26)24(4)19(3)22(25)21-13-9-6-10-14-21/h5-14,17-19,22,25H,15-16H2,1-4H3/t17-,18+,19-,22+/m0/s1
InChIKeyBCIFSIXQXRFGBI-LMVRJCEZSA-N
XLogP4.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide with MolForge

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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-phenylpentanamide?
The IUPAC name of (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide (CID 10915209) is (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide.
What is the SMILES notation for (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide?
The canonical SMILES for (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide is C[C@H](Cc1ccccc1)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-phenylpentanamide?
The InChIKey is BCIFSIXQXRFGBI-LMVRJCEZSA-N. The full InChI is InChI=1S/C23H31NO2/c1-17(16-20-11-7-5-8-12-20)15-18(2)23(26)24(4)19(3)22(25)21-13-9-6-10-14-21/h5-14,17-19,22,25H,15-16H2,1-4H3/t17-,18+,19-,22+/m0/s1.
What are the key properties of (2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide?
(2R,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4-trimethyl-5-phenylpentanamide has a molecular weight of 353.51 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 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-phenylpentanamide is sourced from PubChem (CID 10915209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).