[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate

C21H23NO5 — CID 8885650

IUPAC[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
SMILESCC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C21H23NO5/c1-13-9-10-19(14(2)11-13)26-12-20(24)27-16(4)21(25)22-18-8-6-5-7-17(18)15(3)23/h5-11,16H,12H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyPTBCYFTUKVAKAX-MRXNPFEDSA-N
MW369.42 g/mol
LogP3.46
Rot. Bonds7

About [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate

[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate (PubChem CID 8885650) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
PubChem CID8885650
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
SMILESCC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C21H23NO5/c1-13-9-10-19(14(2)11-13)26-12-20(24)27-16(4)21(25)22-18-8-6-5-7-17(18)15(3)23/h5-11,16H,12H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyPTBCYFTUKVAKAX-MRXNPFEDSA-N
XLogP3.46
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885278
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885477
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885419
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814595
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885457
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885388
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8735394
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 8982982
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate
CID 8918402
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814561
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814705
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814707

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate?
The IUPAC name of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate (CID 8885650) is [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate?
The canonical SMILES for [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate is CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)COc1ccc(C)cc1C.
What is the InChIKey of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate?
The InChIKey is PTBCYFTUKVAKAX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13-9-10-19(14(2)11-13)26-12-20(24)27-16(4)21(25)22-18-8-6-5-7-17(18)15(3)23/h5-11,16H,12H2,1-4H3,(H,22,25)/t16-/m1/s1.
What are the key properties of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate?
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate has a molecular weight of 369.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate is sourced from PubChem (CID 8885650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).