2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide

C20H25NO3 — CID 54856919

IUPAC2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
SMILESCc1cccc(OCC(=O)N(C)C(C)C(O)c2ccccc2)c1C
InChIInChI=1S/C20H25NO3/c1-14-9-8-12-18(15(14)2)24-13-19(22)21(4)16(3)20(23)17-10-6-5-7-11-17/h5-12,16,20,23H,13H2,1-4H3
InChIKeyZFEQYWAZNSPXQC-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.26
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide

2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide (PubChem CID 54856919) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
PubChem CID54856919
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
SMILESCc1cccc(OCC(=O)N(C)C(C)C(O)c2ccccc2)c1C
InChIInChI=1S/C20H25NO3/c1-14-9-8-12-18(15(14)2)24-13-19(22)21(4)16(3)20(23)17-10-6-5-7-11-17/h5-12,16,20,23H,13H2,1-4H3
InChIKeyZFEQYWAZNSPXQC-UHFFFAOYSA-N
XLogP3.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856630
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856949
2-(2-bromo-4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856930
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 54856792
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856918
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(3-methoxy-4,5-dimethylphenyl)-N-methylbutanamide
CID 90225512
N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 62333062

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide (CID 54856919) is 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide is Cc1cccc(OCC(=O)N(C)C(C)C(O)c2ccccc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The InChIKey is ZFEQYWAZNSPXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-9-8-12-18(15(14)2)24-13-19(22)21(4)16(3)20(23)17-10-6-5-7-11-17/h5-12,16,20,23H,13H2,1-4H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide has a molecular weight of 327.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 54856919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).