3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide

C17H27NO3 — CID 103861596

IUPAC3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCc1ccc(OCCC(=O)NCCCC(C)CO)cc1C
InChIInChI=1S/C17H27NO3/c1-13(12-19)5-4-9-18-17(20)8-10-21-16-7-6-14(2)15(3)11-16/h6-7,11,13,19H,4-5,8-10,12H2,1-3H3,(H,18,20)
InChIKeyZOEFTHYFTCILMC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.60
Rot. Bonds9

About 3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide

3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide (PubChem CID 103861596) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
PubChem CID103861596
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCc1ccc(OCCC(=O)NCCCC(C)CO)cc1C
InChIInChI=1S/C17H27NO3/c1-13(12-19)5-4-9-18-17(20)8-10-21-16-7-6-14(2)15(3)11-16/h6-7,11,13,19H,4-5,8-10,12H2,1-3H3,(H,18,20)
InChIKeyZOEFTHYFTCILMC-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861618
3-[3-(3,4-dimethylphenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676390
2-[3-(3,4-dimethylphenoxy)propanoylamino]propanoic acid
CID 43355237
3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861871
3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 94821099
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
CID 103862326
3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide
CID 138049489
5-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682442
3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115668421
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862218
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide (CID 103861596) is 3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide is Cc1ccc(OCCC(=O)NCCCC(C)CO)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The InChIKey is ZOEFTHYFTCILMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(12-19)5-4-9-18-17(20)8-10-21-16-7-6-14(2)15(3)11-16/h6-7,11,13,19H,4-5,8-10,12H2,1-3H3,(H,18,20).
What are the key properties of 3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide is sourced from PubChem (CID 103861596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).