[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate

C22H27NO4 — CID 7950653

IUPAC[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
SMILESCOc1ccc(C)cc1NC(=O)[C@H](OC(=O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C22H27NO4/c1-15-11-12-18(26-5)17(13-15)23-21(25)20(16-9-7-6-8-10-16)27-19(24)14-22(2,3)4/h6-13,20H,14H2,1-5H3,(H,23,25)/t20-/m1/s1
InChIKeySMFLSRCYLTWUAF-HXUWFJFHSA-N
MW369.46 g/mol
LogP4.66
Rot. Bonds6

About [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate

[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate (PubChem CID 7950653) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate.

Molecular Properties

Compound Name[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
PubChem CID7950653
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
SMILESCOc1ccc(C)cc1NC(=O)[C@H](OC(=O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C22H27NO4/c1-15-11-12-18(26-5)17(13-15)23-21(25)20(16-9-7-6-8-10-16)27-19(24)14-22(2,3)4/h6-13,20H,14H2,1-5H3,(H,23,25)/t20-/m1/s1
InChIKeySMFLSRCYLTWUAF-HXUWFJFHSA-N
XLogP4.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate with MolForge

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Related Compounds

[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methyl-2-phenylpropanoate
CID 7984559
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853368
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722308
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 4783200
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate
CID 7765424
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063477
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
CID 42963745
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 2507805
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 4853970
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-4-methylbenzoate
CID 42966348

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate?
The IUPAC name of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate (CID 7950653) is [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate.
What is the SMILES notation for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate?
The canonical SMILES for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate is COc1ccc(C)cc1NC(=O)[C@H](OC(=O)CC(C)(C)C)c1ccccc1.
What is the InChIKey of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate?
The InChIKey is SMFLSRCYLTWUAF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27NO4/c1-15-11-12-18(26-5)17(13-15)23-21(25)20(16-9-7-6-8-10-16)27-19(24)14-22(2,3)4/h6-13,20H,14H2,1-5H3,(H,23,25)/t20-/m1/s1.
What are the key properties of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate?
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate has a molecular weight of 369.46 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate is sourced from PubChem (CID 7950653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).