N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide

C15H23NO3 — CID 103862190

IUPACN-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
SMILESCC(CO)CCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C15H23NO3/c1-13(12-17)6-5-10-16-15(18)9-11-19-14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,16,18)
InChIKeyFTWFPGPFOTXQEC-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.98
Rot. Bonds9

About N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide

N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide (PubChem CID 103862190) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
PubChem CID103862190
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
SMILESCC(CO)CCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C15H23NO3/c1-13(12-17)6-5-10-16-15(18)9-11-19-14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,16,18)
InChIKeyFTWFPGPFOTXQEC-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.98
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

3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861618
3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861596
3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861871
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
CID 103861668
N-(3-cyanopropyl)-3-phenoxypropanamide
CID 62666822
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
CID 103862326
N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide
CID 114163410
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide (CID 103862190) is N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide is CC(CO)CCCNC(=O)CCOc1ccccc1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide?
The InChIKey is FTWFPGPFOTXQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13(12-17)6-5-10-16-15(18)9-11-19-14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,16,18).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide?
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide has a molecular weight of 265.35 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide is sourced from PubChem (CID 103862190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).