(2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide

C23H27NO3 — CID 124846639

IUPAC(2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
SMILESC[C@H](C(=O)N[C@H](CO)c1ccccc1)c1ccc(C[C@H]2CCCC2=O)cc1
InChIInChI=1S/C23H27NO3/c1-16(23(27)24-21(15-25)19-6-3-2-4-7-19)18-12-10-17(11-13-18)14-20-8-5-9-22(20)26/h2-4,6-7,10-13,16,20-21,25H,5,8-9,14-15H2,1H3,(H,24,27)/t16-,20+,21+/m0/s1
InChIKeyJBTQCLUCMSKYRC-ZLGUVYLKSA-N
MW365.47 g/mol
LogP3.55
Rot. Bonds7

About (2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide

(2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide (PubChem CID 124846639) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
PubChem CID124846639
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
SMILESC[C@H](C(=O)N[C@H](CO)c1ccccc1)c1ccc(C[C@H]2CCCC2=O)cc1
InChIInChI=1S/C23H27NO3/c1-16(23(27)24-21(15-25)19-6-3-2-4-7-19)18-12-10-17(11-13-18)14-20-8-5-9-22(20)26/h2-4,6-7,10-13,16,20-21,25H,5,8-9,14-15H2,1H3,(H,24,27)/t16-,20+,21+/m0/s1
InChIKeyJBTQCLUCMSKYRC-ZLGUVYLKSA-N
XLogP3.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 124846636
(2R)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 110204106
2-(2-hydroxyethylamino)ethanol;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
CID 71735844
sodium;hydride;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid;hydrate
CID 173000744
2-[[4-[(2S)-4-methyl-3-oxopentan-2-yl]phenyl]methyl]cyclopentan-1-one
CID 118474303
N-ethylethanamine;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
CID 71735846
(2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 97265690
(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 118730013
N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanamide
CID 71703103
(2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 97264314
(2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide
CID 162644024
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide?
The IUPAC name of (2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide (CID 124846639) is (2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide.
What is the SMILES notation for (2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide?
The canonical SMILES for (2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide is C[C@H](C(=O)N[C@H](CO)c1ccccc1)c1ccc(C[C@H]2CCCC2=O)cc1.
What is the InChIKey of (2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide?
The InChIKey is JBTQCLUCMSKYRC-ZLGUVYLKSA-N. The full InChI is InChI=1S/C23H27NO3/c1-16(23(27)24-21(15-25)19-6-3-2-4-7-19)18-12-10-17(11-13-18)14-20-8-5-9-22(20)26/h2-4,6-7,10-13,16,20-21,25H,5,8-9,14-15H2,1H3,(H,24,27)/t16-,20+,21+/m0/s1.
What are the key properties of (2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide?
(2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide has a molecular weight of 365.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide is sourced from PubChem (CID 124846639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).