ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate

C15H20ClNO4 — CID 47494461

IUPACethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C15H20ClNO4/c1-5-20-15(19)10(3)17-14(18)11(4)21-13-7-6-12(16)8-9(13)2/h6-8,10-11H,5H2,1-4H3,(H,17,18)
InChIKeyALZDEQNOVJUARA-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.48
Rot. Bonds6

About ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate

ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate (PubChem CID 47494461) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
PubChem CID47494461
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Nameethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C15H20ClNO4/c1-5-20-15(19)10(3)17-14(18)11(4)21-13-7-6-12(16)8-9(13)2/h6-8,10-11H,5H2,1-4H3,(H,17,18)
InChIKeyALZDEQNOVJUARA-UHFFFAOYSA-N
XLogP2.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 81047647
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
N-(2-amino-2-oxo-1-phenylethyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 51315223
ethyl 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoate
CID 2788090
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143
silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
magnesium 2-(4-chloro-2-methylphenoxy)propanoate
CID 3015469

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate?
The IUPAC name of ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate (CID 47494461) is ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate?
The canonical SMILES for ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate is CCOC(=O)C(C)NC(=O)C(C)Oc1ccc(Cl)cc1C.
What is the InChIKey of ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate?
The InChIKey is ALZDEQNOVJUARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-5-20-15(19)10(3)17-14(18)11(4)21-13-7-6-12(16)8-9(13)2/h6-8,10-11H,5H2,1-4H3,(H,17,18).
What are the key properties of ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate?
ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate has a molecular weight of 313.78 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate is sourced from PubChem (CID 47494461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).