ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate

C20H25NO3 — CID 70268301

IUPACethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(CO)NCCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-2-24-20(23)14-17-8-10-18(11-9-17)19(15-22)21-13-12-16-6-4-3-5-7-16/h3-11,19,21-22H,2,12-15H2,1H3
InChIKeyRULVDBIKIUJKIS-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.66
Rot. Bonds9

About ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate

ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate (PubChem CID 70268301) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate
PubChem CID70268301
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nameethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(CO)NCCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-2-24-20(23)14-17-8-10-18(11-9-17)19(15-22)21-13-12-16-6-4-3-5-7-16/h3-11,19,21-22H,2,12-15H2,1H3
InChIKeyRULVDBIKIUJKIS-UHFFFAOYSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate (CID 70268301) is ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate is CCOC(=O)Cc1ccc(C(CO)NCCc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate?
The InChIKey is RULVDBIKIUJKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-2-24-20(23)14-17-8-10-18(11-9-17)19(15-22)21-13-12-16-6-4-3-5-7-16/h3-11,19,21-22H,2,12-15H2,1H3.
What are the key properties of ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate?
ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate has a molecular weight of 327.42 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate is sourced from PubChem (CID 70268301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).