3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide

C15H23NO3 — CID 106843337

IUPAC3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
SMILESCc1cccc(C)c1OCCC(=O)NCCCCO
InChIInChI=1S/C15H23NO3/c1-12-6-5-7-13(2)15(12)19-11-8-14(18)16-9-3-4-10-17/h5-7,17H,3-4,8-11H2,1-2H3,(H,16,18)
InChIKeyMKAKHAOTNNTMHD-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.96
Rot. Bonds8

About 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide

3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide (PubChem CID 106843337) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
PubChem CID106843337
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
SMILESCc1cccc(C)c1OCCC(=O)NCCCCO
InChIInChI=1S/C15H23NO3/c1-12-6-5-7-13(2)15(12)19-11-8-14(18)16-9-3-4-10-17/h5-7,17H,3-4,8-11H2,1-2H3,(H,16,18)
InChIKeyMKAKHAOTNNTMHD-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.96
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

N-[2-[(2-chloroacetyl)amino]ethyl]-4-(2,6-dimethylphenoxy)butanamide
CID 108572936
N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide
CID 108572937
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877668
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283597
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
tert-butyl N-[3-[3-[4-(2,6-dimethylphenoxy)butanoylamino]propylamino]-3-oxopropyl]carbamate
CID 108921601
3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115969023
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide (CID 106843337) is 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide is Cc1cccc(C)c1OCCC(=O)NCCCCO.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide?
The InChIKey is MKAKHAOTNNTMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-6-5-7-13(2)15(12)19-11-8-14(18)16-9-3-4-10-17/h5-7,17H,3-4,8-11H2,1-2H3,(H,16,18).
What are the key properties of 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide?
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide has a molecular weight of 265.35 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide is sourced from PubChem (CID 106843337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).