3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide

C15H23NO3 — CID 94821099

IUPAC3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@@H](C)NC(=O)CCOc1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO3/c1-11-5-6-14(9-12(11)2)19-8-7-15(17)16-13(3)10-18-4/h5-6,9,13H,7-8,10H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyCEJLWLIGDWBOBE-CYBMUJFWSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds7

About 3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide

3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide (PubChem CID 94821099) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
PubChem CID94821099
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@@H](C)NC(=O)CCOc1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO3/c1-11-5-6-14(9-12(11)2)19-8-7-15(17)16-13(3)10-18-4/h5-6,9,13H,7-8,10H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyCEJLWLIGDWBOBE-CYBMUJFWSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,4-dimethylphenoxy)propanoylamino]propanoic acid
CID 43355237
(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 9182040
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
CID 100692631
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
CID 133210666
3-[3-(3,4-dimethylphenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676390
3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861596
3-(4-bromo-3-methylphenoxy)-N-propan-2-ylpropanamide
CID 83133367
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 133262161
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
CID 120507366
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide (CID 94821099) is 3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide is COC[C@@H](C)NC(=O)CCOc1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide?
The InChIKey is CEJLWLIGDWBOBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-5-6-14(9-12(11)2)19-8-7-15(17)16-13(3)10-18-4/h5-6,9,13H,7-8,10H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of 3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide?
3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide has a molecular weight of 265.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide is sourced from PubChem (CID 94821099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).