3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide

C17H27NO3 — CID 103771125

IUPAC3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
SMILESCc1ccc(OCCC(=O)NCC(O)CC(C)C)c(C)c1
InChIInChI=1S/C17H27NO3/c1-12(2)9-15(19)11-18-17(20)7-8-21-16-6-5-13(3)10-14(16)4/h5-6,10,12,15,19H,7-9,11H2,1-4H3,(H,18,20)
InChIKeySWVSISVVXOYCCS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.60
Rot. Bonds8

About 3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide

3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide (PubChem CID 103771125) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
PubChem CID103771125
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
SMILESCc1ccc(OCCC(=O)NCC(O)CC(C)C)c(C)c1
InChIInChI=1S/C17H27NO3/c1-12(2)9-15(19)11-18-17(20)7-8-21-16-6-5-13(3)10-14(16)4/h5-6,10,12,15,19H,7-9,11H2,1-4H3,(H,18,20)
InChIKeySWVSISVVXOYCCS-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730620
N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
CID 119497520
2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771426
3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 65113922
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764
N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 103770722
(2R)-2-[3-(2,4-dimethylphenoxy)propanoylamino]-3-hydroxypropanoic acid
CID 80750754
2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914299
(2R)-2-(carbamoylamino)-N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpentanamide
CID 36748896
3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide
CID 43059642
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
CID 115735175
5-[[3-(2,4-dimethylphenoxy)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226434

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide (CID 103771125) is 3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide is Cc1ccc(OCCC(=O)NCC(O)CC(C)C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide?
The InChIKey is SWVSISVVXOYCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)9-15(19)11-18-17(20)7-8-21-16-6-5-13(3)10-14(16)4/h5-6,10,12,15,19H,7-9,11H2,1-4H3,(H,18,20).
What are the key properties of 3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide?
3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide is sourced from PubChem (CID 103771125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).