3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide

C16H25NO3 — CID 107318602

IUPAC3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCCCCCO)c1
InChIInChI=1S/C16H25NO3/c1-13-6-7-14(2)15(12-13)20-11-8-16(19)17-9-4-3-5-10-18/h6-7,12,18H,3-5,8-11H2,1-2H3,(H,17,19)
InChIKeyKUIIALDCLFWJCP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.35
Rot. Bonds9

About 3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide

3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide (PubChem CID 107318602) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
PubChem CID107318602
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCCCCCO)c1
InChIInChI=1S/C16H25NO3/c1-13-6-7-14(2)15(12-13)20-11-8-16(19)17-9-4-3-5-10-18/h6-7,12,18H,3-5,8-11H2,1-2H3,(H,17,19)
InChIKeyKUIIALDCLFWJCP-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.35
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-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide
CID 119500786
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 43009894
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide (CID 107318602) is 3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide is Cc1ccc(C)c(OCCC(=O)NCCCCCO)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide?
The InChIKey is KUIIALDCLFWJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13-6-7-14(2)15(12-13)20-11-8-16(19)17-9-4-3-5-10-18/h6-7,12,18H,3-5,8-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide?
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide is sourced from PubChem (CID 107318602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).