[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate

C21H23NO5 — CID 9326463

IUPAC[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)O[C@H](C)C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-4-19(23)16-10-12-18(13-11-16)26-14-20(24)27-15(2)21(25)22(3)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3/t15-/m1/s1
InChIKeyYAGYBBYWNSBNER-OAHLLOKOSA-N
MW369.42 g/mol
LogP3.25
Rot. Bonds8

About [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate (PubChem CID 9326463) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
PubChem CID9326463
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)O[C@H](C)C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-4-19(23)16-10-12-18(13-11-16)26-14-20(24)27-15(2)21(25)22(3)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3/t15-/m1/s1
InChIKeyYAGYBBYWNSBNER-OAHLLOKOSA-N
XLogP3.25
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 7839766
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
N-methyl-N-phenyl-2-(4-propanoylphenoxy)acetamide
CID 78760468
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 7983137
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 55417200
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 55417151
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525751
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 2625448
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 7855111
ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate
CID 55318197
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2639635
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 9325873

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate (CID 9326463) is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)O[C@H](C)C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is YAGYBBYWNSBNER-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23NO5/c1-4-19(23)16-10-12-18(13-11-16)26-14-20(24)27-15(2)21(25)22(3)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3/t15-/m1/s1.
What are the key properties of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate?
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 369.42 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 9326463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).