N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide

C22H24N2O3 — CID 66637102

IUPACN-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide
SMILESCc1cc(CCN(C(=O)C(O)c2ccccc2)c2ccc(C)c(C)c2)on1
InChIInChI=1S/C22H24N2O3/c1-15-9-10-19(13-16(15)2)24(12-11-20-14-17(3)23-27-20)22(26)21(25)18-7-5-4-6-8-18/h4-10,13-14,21,25H,11-12H2,1-3H3
InChIKeyRKSQPMYCLKNNBD-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.91
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide

N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide (PubChem CID 66637102) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide
PubChem CID66637102
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide
SMILESCc1cc(CCN(C(=O)C(O)c2ccccc2)c2ccc(C)c(C)c2)on1
InChIInChI=1S/C22H24N2O3/c1-15-9-10-19(13-16(15)2)24(12-11-20-14-17(3)23-27-20)22(26)21(25)18-7-5-4-6-8-18/h4-10,13-14,21,25H,11-12H2,1-3H3
InChIKeyRKSQPMYCLKNNBD-UHFFFAOYSA-N
XLogP3.91
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
CID 66637635
2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
CID 68727133
(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 25182506
(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
CID 68933647
[(1S)-2-[3,4-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]anilino]-2-oxo-1-phenylethyl]carbamic acid
CID 174614053
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602
2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide
CID 76569012
2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 68933496
(2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
CID 95599524
N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143913137
2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
CID 68727745
(2S)-2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2,3,6-trifluoro-4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 86626962

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide (CID 66637102) is N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide is Cc1cc(CCN(C(=O)C(O)c2ccccc2)c2ccc(C)c(C)c2)on1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide?
The InChIKey is RKSQPMYCLKNNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-9-10-19(13-16(15)2)24(12-11-20-14-17(3)23-27-20)22(26)21(25)18-7-5-4-6-8-18/h4-10,13-14,21,25H,11-12H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide?
N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide has a molecular weight of 364.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 66637102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).