N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide

C15H23NO4 — CID 66170491

IUPACN-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCC(C)(O)CO)c1
InChIInChI=1S/C15H23NO4/c1-11-6-12(2)8-13(7-11)20-5-4-14(18)16-9-15(3,19)10-17/h6-8,17,19H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKeyGCOJDFMKBRFLKS-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.93
Rot. Bonds7

About N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide

N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide (PubChem CID 66170491) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
PubChem CID66170491
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCC(C)(O)CO)c1
InChIInChI=1S/C15H23NO4/c1-11-6-12(2)8-13(7-11)20-5-4-14(18)16-9-15(3,19)10-17/h6-8,17,19H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKeyGCOJDFMKBRFLKS-UHFFFAOYSA-N
XLogP0.93
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772894
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
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
CID 66168988
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
4-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002345
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65103759
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide
CID 48583873

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide (CID 66170491) is N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OCCC(=O)NCC(C)(O)CO)c1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide?
The InChIKey is GCOJDFMKBRFLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11-6-12(2)8-13(7-11)20-5-4-14(18)16-9-15(3,19)10-17/h6-8,17,19H,4-5,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide?
N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide has a molecular weight of 281.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 66170491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).