3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

C17H27NO3 — CID 103772894

IUPAC3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCC(C)(C)CCO)c1
InChIInChI=1S/C17H27NO3/c1-13-9-14(2)11-15(10-13)21-8-5-16(20)18-12-17(3,4)6-7-19/h9-11,19H,5-8,12H2,1-4H3,(H,18,20)
InChIKeyOCHWZSFOEQBKMW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.60
Rot. Bonds8

About 3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (PubChem CID 103772894) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
PubChem CID103772894
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCC(C)(C)CCO)c1
InChIInChI=1S/C17H27NO3/c1-13-9-14(2)11-15(10-13)21-8-5-16(20)18-12-17(3,4)6-7-19/h9-11,19H,5-8,12H2,1-4H3,(H,18,20)
InChIKeyOCHWZSFOEQBKMW-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-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106139288
N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
CID 66170491
3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825257
3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 60545145
N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide
CID 60731427
4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103772535
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
CID 106139517
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654017

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (CID 103772894) is 3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is Cc1cc(C)cc(OCCC(=O)NCC(C)(C)CCO)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The InChIKey is OCHWZSFOEQBKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-9-14(2)11-15(10-13)21-8-5-16(20)18-12-17(3,4)6-7-19/h9-11,19H,5-8,12H2,1-4H3,(H,18,20).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)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-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is sourced from PubChem (CID 103772894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).