ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate

C20H25NO4 — CID 18625845

IUPACethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate
SMILESCCOC(=O)C(C)(Cc1ccc(OCCN)cc1)Oc1ccccc1
InChIInChI=1S/C20H25NO4/c1-3-23-19(22)20(2,25-18-7-5-4-6-8-18)15-16-9-11-17(12-10-16)24-14-13-21/h4-12H,3,13-15,21H2,1-2H3
InChIKeyCPAOKXGEMPRHGF-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.97
Rot. Bonds9

About ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate

ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate (PubChem CID 18625845) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate.

Molecular Properties

Compound Nameethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate
PubChem CID18625845
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nameethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate
SMILESCCOC(=O)C(C)(Cc1ccc(OCCN)cc1)Oc1ccccc1
InChIInChI=1S/C20H25NO4/c1-3-23-19(22)20(2,25-18-7-5-4-6-8-18)15-16-9-11-17(12-10-16)24-14-13-21/h4-12H,3,13-15,21H2,1-2H3
InChIKeyCPAOKXGEMPRHGF-UHFFFAOYSA-N
XLogP2.97
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate?
The IUPAC name of ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate (CID 18625845) is ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate.
What is the SMILES notation for ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate?
The canonical SMILES for ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate is CCOC(=O)C(C)(Cc1ccc(OCCN)cc1)Oc1ccccc1.
What is the InChIKey of ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate?
The InChIKey is CPAOKXGEMPRHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-23-19(22)20(2,25-18-7-5-4-6-8-18)15-16-9-11-17(12-10-16)24-14-13-21/h4-12H,3,13-15,21H2,1-2H3.
What are the key properties of ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate?
ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate has a molecular weight of 343.42 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-aminoethoxy)phenyl]-2-methyl-2-phenoxypropanoate is sourced from PubChem (CID 18625845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).