N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide

C22H27NO4 — CID 174483695

IUPACN-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide
SMILESO=C(N[C@@H](Cc1ccccc1)C1C(O)CCC1O)C(O)Cc1ccccc1
InChIInChI=1S/C22H27NO4/c24-18-11-12-19(25)21(18)17(13-15-7-3-1-4-8-15)23-22(27)20(26)14-16-9-5-2-6-10-16/h1-10,17-21,24-26H,11-14H2,(H,23,27)/t17-,18?,19?,20?,21?/m0/s1
InChIKeyOBDQKVYNHVTBRT-OXAFFQKASA-N
MW369.46 g/mol
LogP1.45
Rot. Bonds7

About N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide

N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide (PubChem CID 174483695) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide
PubChem CID174483695
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC NameN-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide
SMILESO=C(N[C@@H](Cc1ccccc1)C1C(O)CCC1O)C(O)Cc1ccccc1
InChIInChI=1S/C22H27NO4/c24-18-11-12-19(25)21(18)17(13-15-7-3-1-4-8-15)23-22(27)20(26)14-16-9-5-2-6-10-16/h1-10,17-21,24-26H,11-14H2,(H,23,27)/t17-,18?,19?,20?,21?/m0/s1
InChIKeyOBDQKVYNHVTBRT-OXAFFQKASA-N
XLogP1.45
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-methylbutanamide
CID 174483700
N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide
CID 141079087
N-ethyl-2-hydroxy-3-phenylpropanamide
CID 13215108
trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol
CID 141079078
N-[1-[(1-cyclopropyl-2-phenylethyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014691
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 86902888
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
(2S)-2-hydroxy-3-phenylpropanethioic S-acid
CID 21114760
N-[1-[(1-cyclopentyl-2-phenylethyl)amino]-1-oxopropan-2-yl]benzamide
CID 86945414
2-hydroxy-N-(1-methylsulfonylazetidin-3-yl)-3-phenylpropanamide
CID 171697834
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide?
The IUPAC name of N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide (CID 174483695) is N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide?
The canonical SMILES for N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide is O=C(N[C@@H](Cc1ccccc1)C1C(O)CCC1O)C(O)Cc1ccccc1.
What is the InChIKey of N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide?
The InChIKey is OBDQKVYNHVTBRT-OXAFFQKASA-N. The full InChI is InChI=1S/C22H27NO4/c24-18-11-12-19(25)21(18)17(13-15-7-3-1-4-8-15)23-22(27)20(26)14-16-9-5-2-6-10-16/h1-10,17-21,24-26H,11-14H2,(H,23,27)/t17-,18?,19?,20?,21?/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide?
N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide has a molecular weight of 369.46 g/mol, XLogP of 1.45, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 174483695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).