[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate

C21H24ClNO4 — CID 7709692

IUPAC[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESCCc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO4/c1-5-16-8-6-7-13(2)19(16)23-20(24)14(3)27-21(25)15(4)26-18-11-9-17(22)10-12-18/h6-12,14-15H,5H2,1-4H3,(H,23,24)/t14-,15-/m1/s1
InChIKeyAAKHPUPFQHNUOY-HUUCEWRRSA-N
MW389.88 g/mol
LogP4.55
Rot. Bonds7

About [(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate

[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate (PubChem CID 7709692) has the molecular formula C21H24ClNO4 and a molecular weight of 389.88 g/mol. Its IUPAC name is [(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
PubChem CID7709692
Molecular FormulaC21H24ClNO4
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Name[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESCCc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO4/c1-5-16-8-6-7-13(2)19(16)23-20(24)14(3)27-21(25)15(4)26-18-11-9-17(22)10-12-18/h6-12,14-15H,5H2,1-4H3,(H,23,24)/t14-,15-/m1/s1
InChIKeyAAKHPUPFQHNUOY-HUUCEWRRSA-N
XLogP4.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate with MolForge

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Related Compounds

4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4055432
2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 82027609
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737918
(2R)-N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 2576276
N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 4877561
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8742219
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754721
(2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 40771361
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864581
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
CID 124506694
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8935711
N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179504

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate?
The IUPAC name of [(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate (CID 7709692) is [(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate is CCc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate?
The InChIKey is AAKHPUPFQHNUOY-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H24ClNO4/c1-5-16-8-6-7-13(2)19(16)23-20(24)14(3)27-21(25)15(4)26-18-11-9-17(22)10-12-18/h6-12,14-15H,5H2,1-4H3,(H,23,24)/t14-,15-/m1/s1.
What are the key properties of [(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate?
[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate has a molecular weight of 389.88 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 7709692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).