[1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate

C18H26ClNO5 — CID 156841569

IUPAC[1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OC(CO)CNC(=O)CCC(C)C
InChIInChI=1S/C18H26ClNO5/c1-12(2)4-7-17(22)20-9-15(10-21)25-18(23)11-24-16-6-5-14(19)8-13(16)3/h5-6,8,12,15,21H,4,7,9-11H2,1-3H3,(H,20,22)
InChIKeyOXHVAXNTTBGVSR-UHFFFAOYSA-N
MW371.86 g/mol
LogP2.48
Rot. Bonds10

About [1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate

[1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 156841569) has the molecular formula C18H26ClNO5 and a molecular weight of 371.86 g/mol. Its IUPAC name is [1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID156841569
Molecular FormulaC18H26ClNO5
Molecular Weight371.86 g/mol
Exact Mass371.15
IUPAC Name[1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OC(CO)CNC(=O)CCC(C)C
InChIInChI=1S/C18H26ClNO5/c1-12(2)4-7-17(22)20-9-15(10-21)25-18(23)11-24-16-6-5-14(19)8-13(16)3/h5-6,8,12,15,21H,4,7,9-11H2,1-3H3,(H,20,22)
InChIKeyOXHVAXNTTBGVSR-UHFFFAOYSA-N
XLogP2.48
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021089
4-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-chloro-2-methylphenoxy)butanoylamino]propyl]butanamide
CID 4125851
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779350
1-[2-(4-chloro-2-methylphenoxy)acetyl]oxypentylphosphonic acid
CID 71724179
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 55416889
ethyl 4-[[2-[2-(4-chloro-2-methylphenoxy)acetyl]oxyacetyl]amino]butanoate
CID 29155553
[2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride
CID 24832417
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate (CID 156841569) is [1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate is Cc1cc(Cl)ccc1OCC(=O)OC(CO)CNC(=O)CCC(C)C.
What is the InChIKey of [1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is OXHVAXNTTBGVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO5/c1-12(2)4-7-17(22)20-9-15(10-21)25-18(23)11-24-16-6-5-14(19)8-13(16)3/h5-6,8,12,15,21H,4,7,9-11H2,1-3H3,(H,20,22).
What are the key properties of [1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
[1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 371.86 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 156841569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).