[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate

C18H19NO5 — CID 41098079

IUPAC[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate
SMILESCOc1ccc(OC)c(NC(=O)[C@H](OC(C)=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO5/c1-12(20)24-17(13-7-5-4-6-8-13)18(21)19-15-11-14(22-2)9-10-16(15)23-3/h4-11,17H,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyDBHPINTZFPKWKO-QGZVFWFLSA-N
MW329.35 g/mol
LogP2.95
Rot. Bonds6

About [(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate

[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate (PubChem CID 41098079) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate
PubChem CID41098079
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate
SMILESCOc1ccc(OC)c(NC(=O)[C@H](OC(C)=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO5/c1-12(20)24-17(13-7-5-4-6-8-13)18(21)19-15-11-14(22-2)9-10-16(15)23-3/h4-11,17H,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyDBHPINTZFPKWKO-QGZVFWFLSA-N
XLogP2.95
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate
CID 46603193
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea
CID 47016124
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate (CID 41098079) is [(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate is COc1ccc(OC)c(NC(=O)[C@H](OC(C)=O)c2ccccc2)c1.
What is the InChIKey of [(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate?
The InChIKey is DBHPINTZFPKWKO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO5/c1-12(20)24-17(13-7-5-4-6-8-13)18(21)19-15-11-14(22-2)9-10-16(15)23-3/h4-11,17H,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of [(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate?
[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate has a molecular weight of 329.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 41098079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).