5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide

C14H21NO2 — CID 81355860

IUPAC5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
SMILESCc1ccc([C@H](C)NC(=O)CCCCO)cc1
InChIInChI=1S/C14H21NO2/c1-11-6-8-13(9-7-11)12(2)15-14(17)5-3-4-10-16/h6-9,12,16H,3-5,10H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyAQRWONZHEINWQY-LBPRGKRZSA-N
MW235.33 g/mol
LogP2.33
Rot. Bonds6

About 5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide

5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide (PubChem CID 81355860) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
PubChem CID81355860
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
SMILESCc1ccc([C@H](C)NC(=O)CCCCO)cc1
InChIInChI=1S/C14H21NO2/c1-11-6-8-13(9-7-11)12(2)15-14(17)5-3-4-10-16/h6-9,12,16H,3-5,10H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyAQRWONZHEINWQY-LBPRGKRZSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.33
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

5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 107910353
5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356972
N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide
CID 79198933
N,N'-bis[1-(4-methylphenyl)ethyl]hexadeca-7,9-diynediamide
CID 122396219
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 82010904
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81380310
N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
CID 79199383
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide (CID 81355860) is 5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide is Cc1ccc([C@H](C)NC(=O)CCCCO)cc1.
What is the InChIKey of 5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide?
The InChIKey is AQRWONZHEINWQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-6-8-13(9-7-11)12(2)15-14(17)5-3-4-10-16/h6-9,12,16H,3-5,10H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide?
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 81355860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).