N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide

C14H21NO3 — CID 110001835

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
SMILESCOCCCCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-18-10-6-5-9-14(17)15-13(11-16)12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyFRMFZUJXIFRUGZ-CYBMUJFWSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds8

About N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide

N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide (PubChem CID 110001835) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
PubChem CID110001835
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
SMILESCOCCCCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-18-10-6-5-9-14(17)15-13(11-16)12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyFRMFZUJXIFRUGZ-CYBMUJFWSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-(6-methoxyhexanoylamino)-2-phenylethyl] dihydrogen phosphate
CID 18339793
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
4-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)butanamide
CID 122506545
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
3-(4-tert-butylphenyl)-3-(5-methoxypentanoylamino)propanoic acid
CID 119209901
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide (CID 110001835) is N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide is COCCCCC(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide?
The InChIKey is FRMFZUJXIFRUGZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO3/c1-18-10-6-5-9-14(17)15-13(11-16)12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11H2,1H3,(H,15,17)/t13-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide is sourced from PubChem (CID 110001835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).