5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide

C14H21NO3 — CID 79199692

IUPAC5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
SMILESCN(CCOc1ccccc1)C(=O)CCCCO
InChIInChI=1S/C14H21NO3/c1-15(14(17)9-5-6-11-16)10-12-18-13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3
InChIKeyCYNOUYUQCVAIJE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.69
Rot. Bonds8

About 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide

5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide (PubChem CID 79199692) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
PubChem CID79199692
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
SMILESCN(CCOc1ccccc1)C(=O)CCCCO
InChIInChI=1S/C14H21NO3/c1-15(14(17)9-5-6-11-16)10-12-18-13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3
InChIKeyCYNOUYUQCVAIJE-UHFFFAOYSA-N
XLogP1.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide
CID 107202307
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
N,N-dimethyl-6-phenoxyhexanamide
CID 142596913
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781233
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide?
The IUPAC name of 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide (CID 79199692) is 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide?
The canonical SMILES for 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide is CN(CCOc1ccccc1)C(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide?
The InChIKey is CYNOUYUQCVAIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15(14(17)9-5-6-11-16)10-12-18-13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3.
What are the key properties of 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide?
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide is sourced from PubChem (CID 79199692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).