(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide

C17H25NO2 — CID 99856024

IUPAC(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)NCCC[C@H]1CCC[C@@H]1O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(14-7-3-2-4-8-14)17(20)18-12-6-10-15-9-5-11-16(15)19/h2-4,7-8,13,15-16,19H,5-6,9-12H2,1H3,(H,18,20)/t13-,15+,16-/m0/s1
InChIKeyOHXFDPLYNVNLKO-IMJJTQAJSA-N
MW275.39 g/mol
LogP2.85
Rot. Bonds6

About (2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide

(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide (PubChem CID 99856024) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide
PubChem CID99856024
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)NCCC[C@H]1CCC[C@@H]1O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(14-7-3-2-4-8-14)17(20)18-12-6-10-15-9-5-11-16(15)19/h2-4,7-8,13,15-16,19H,5-6,9-12H2,1H3,(H,18,20)/t13-,15+,16-/m0/s1
InChIKeyOHXFDPLYNVNLKO-IMJJTQAJSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
N-butyl-2-phenylpropanamide
CID 101453557
N-(4-chloropentyl)-2-phenylpropanamide
CID 106129293
N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106123788
N-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-phenylpropanamide
CID 111471021
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529
2-hydroxy-N-[3-(2-hydroxycyclohexyl)propyl]cyclopentane-1-carboxamide
CID 110016444
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
N-[2-(2-hydroxycyclohexyl)ethyl]-2-methylpropanamide
CID 165463094
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol
CID 115894901

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide (CID 99856024) is (2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide is C[C@H](C(=O)NCCC[C@H]1CCC[C@@H]1O)c1ccccc1.
What is the InChIKey of (2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide?
The InChIKey is OHXFDPLYNVNLKO-IMJJTQAJSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(14-7-3-2-4-8-14)17(20)18-12-6-10-15-9-5-11-16(15)19/h2-4,7-8,13,15-16,19H,5-6,9-12H2,1H3,(H,18,20)/t13-,15+,16-/m0/s1.
What are the key properties of (2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide?
(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide has a molecular weight of 275.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide is sourced from PubChem (CID 99856024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).