(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide

C24H33NO3 — CID 51355324

IUPAC(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide
SMILESCCCC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](CC)c2ccccc2)cc1
InChIInChI=1S/C24H33NO3/c1-4-9-18(3)17-28-21-14-12-20(13-15-21)23(16-26)25-24(27)22(5-2)19-10-7-6-8-11-19/h6-8,10-15,18,22-23,26H,4-5,9,16-17H2,1-3H3,(H,25,27)/t18?,22-,23-/m0/s1
InChIKeyRRSQDEVNSYGSND-BFLQJQPQSA-N
MW383.53 g/mol
LogP4.84
Rot. Bonds11

About (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide

(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide (PubChem CID 51355324) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide
PubChem CID51355324
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide
SMILESCCCC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](CC)c2ccccc2)cc1
InChIInChI=1S/C24H33NO3/c1-4-9-18(3)17-28-21-14-12-20(13-15-21)23(16-26)25-24(27)22(5-2)19-10-7-6-8-11-19/h6-8,10-15,18,22-23,26H,4-5,9,16-17H2,1-3H3,(H,25,27)/t18?,22-,23-/m0/s1
InChIKeyRRSQDEVNSYGSND-BFLQJQPQSA-N
XLogP4.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide (CID 51355324) is (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide is CCCC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](CC)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide?
The InChIKey is RRSQDEVNSYGSND-BFLQJQPQSA-N. The full InChI is InChI=1S/C24H33NO3/c1-4-9-18(3)17-28-21-14-12-20(13-15-21)23(16-26)25-24(27)22(5-2)19-10-7-6-8-11-19/h6-8,10-15,18,22-23,26H,4-5,9,16-17H2,1-3H3,(H,25,27)/t18?,22-,23-/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide?
(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide has a molecular weight of 383.53 g/mol, XLogP of 4.84, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylbutanamide is sourced from PubChem (CID 51355324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).