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

C15H23NO3 — CID 9182040

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO3/c1-10-6-7-14(8-11(10)2)19-13(4)15(17)16-12(3)9-18-5/h6-8,12-13H,9H2,1-5H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyLSQUXZSHVHSUTJ-QWHCGFSZSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds6

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

(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide (PubChem CID 9182040) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide
PubChem CID9182040
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO3/c1-10-6-7-14(8-11(10)2)19-13(4)15(17)16-12(3)9-18-5/h6-8,12-13H,9H2,1-5H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyLSQUXZSHVHSUTJ-QWHCGFSZSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 94821099
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 94843433
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 9180877
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
2-(3,4-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]propanamide
CID 132652018
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
2-methyl-4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107671023
(2R)-2-(4-methoxyphenoxy)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 95161887
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide (CID 9182040) is (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide is COC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The InChIKey is LSQUXZSHVHSUTJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-6-7-14(8-11(10)2)19-13(4)15(17)16-12(3)9-18-5/h6-8,12-13H,9H2,1-5H3,(H,16,17)/t12-,13+/m0/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide has a molecular weight of 265.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide is sourced from PubChem (CID 9182040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).