(2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide

C24H31NO3 — CID 162644024

IUPAC(2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2CC(C)(C)C2)cc1)c1ccccc1
InChIInChI=1S/C24H31NO3/c1-17(19-7-5-4-6-8-19)23(27)25-22(15-26)20-9-11-21(12-10-20)28-16-18-13-24(2,3)14-18/h4-12,17-18,22,26H,13-16H2,1-3H3,(H,25,27)/t17-,22-/m0/s1
InChIKeyMCIUTVHDOPIFLL-JTSKRJEESA-N
MW381.52 g/mol
LogP4.45
Rot. Bonds8

About (2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide

(2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide (PubChem CID 162644024) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide
PubChem CID162644024
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name(2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2CC(C)(C)C2)cc1)c1ccccc1
InChIInChI=1S/C24H31NO3/c1-17(19-7-5-4-6-8-19)23(27)25-22(15-26)20-9-11-21(12-10-20)28-16-18-13-24(2,3)14-18/h4-12,17-18,22,26H,13-16H2,1-3H3,(H,25,27)/t17-,22-/m0/s1
InChIKeyMCIUTVHDOPIFLL-JTSKRJEESA-N
XLogP4.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 118730013
(2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide
CID 51354470
2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 110931128
(2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 124846639
(2S)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 124846636
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 110001804
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 107863311
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide (CID 162644024) is (2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide is C[C@H](C(=O)N[C@@H](CO)c1ccc(OCC2CC(C)(C)C2)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide?
The InChIKey is MCIUTVHDOPIFLL-JTSKRJEESA-N. The full InChI is InChI=1S/C24H31NO3/c1-17(19-7-5-4-6-8-19)23(27)25-22(15-26)20-9-11-21(12-10-20)28-16-18-13-24(2,3)14-18/h4-12,17-18,22,26H,13-16H2,1-3H3,(H,25,27)/t17-,22-/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide?
(2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide has a molecular weight of 381.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide is sourced from PubChem (CID 162644024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).