N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide

C15H23NO2 — CID 60731427

IUPACN-tert-butyl-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-11-8-12(2)10-13(9-11)18-7-6-14(17)16-15(3,4)5/h8-10H,6-7H2,1-5H3,(H,16,17)
InChIKeyRTVDLTQQVYYSEA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.99
Rot. Bonds4

About N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide

N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide (PubChem CID 60731427) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3,5-dimethylphenoxy)propanamide
PubChem CID60731427
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-tert-butyl-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-11-8-12(2)10-13(9-11)18-7-6-14(17)16-15(3,4)5/h8-10H,6-7H2,1-5H3,(H,16,17)
InChIKeyRTVDLTQQVYYSEA-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
CID 66170491
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772894
N-(3,3-dimethylbutylsulfonyl)-3-(3,5-dimethylphenoxy)propanamide
CID 86944025
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
methyl (2S)-2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 87040329
3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 60545145
3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 35504455
ethyl 2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 61344778
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide
CID 48583873

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide (CID 60731427) is N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OCCC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide?
The InChIKey is RTVDLTQQVYYSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-12(2)10-13(9-11)18-7-6-14(17)16-15(3,4)5/h8-10H,6-7H2,1-5H3,(H,16,17).
What are the key properties of N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide?
N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 60731427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).