4-hydroxy-N-(2-phenoxyethyl)pentanamide

C13H19NO3 — CID 79191898

IUPAC4-hydroxy-N-(2-phenoxyethyl)pentanamide
SMILESCC(O)CCC(=O)NCCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-11(15)7-8-13(16)14-9-10-17-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,14,16)
InChIKeyAYUSIPRXKJQNTP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.34
Rot. Bonds7

About 4-hydroxy-N-(2-phenoxyethyl)pentanamide

4-hydroxy-N-(2-phenoxyethyl)pentanamide (PubChem CID 79191898) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-hydroxy-N-(2-phenoxyethyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-phenoxyethyl)pentanamide
PubChem CID79191898
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-hydroxy-N-(2-phenoxyethyl)pentanamide
SMILESCC(O)CCC(=O)NCCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-11(15)7-8-13(16)14-9-10-17-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,14,16)
InChIKeyAYUSIPRXKJQNTP-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.34
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

4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
3-methylsulfanyl-N-(2-phenoxyethyl)propanamide
CID 112794610
4-oxo-4-(2-phenoxyethylamino)butanoate
CID 9156478
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-phenoxyethyl)pentanamide?
The IUPAC name of 4-hydroxy-N-(2-phenoxyethyl)pentanamide (CID 79191898) is 4-hydroxy-N-(2-phenoxyethyl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(2-phenoxyethyl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(2-phenoxyethyl)pentanamide is CC(O)CCC(=O)NCCOc1ccccc1.
What is the InChIKey of 4-hydroxy-N-(2-phenoxyethyl)pentanamide?
The InChIKey is AYUSIPRXKJQNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-11(15)7-8-13(16)14-9-10-17-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,14,16).
What are the key properties of 4-hydroxy-N-(2-phenoxyethyl)pentanamide?
4-hydroxy-N-(2-phenoxyethyl)pentanamide has a molecular weight of 237.30 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-phenoxyethyl)pentanamide is sourced from PubChem (CID 79191898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).