ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate

C19H23NO3 — CID 70676553

IUPACethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccccc1NCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-4-22-18(21)19(2,3)23-17-13-9-8-12-16(17)20-14-15-10-6-5-7-11-15/h5-13,20H,4,14H2,1-3H3
InChIKeyAJHUYFBTDJHQDA-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.02
Rot. Bonds7

About ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate

ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate (PubChem CID 70676553) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate
PubChem CID70676553
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccccc1NCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-4-22-18(21)19(2,3)23-17-13-9-8-12-16(17)20-14-15-10-6-5-7-11-15/h5-13,20H,4,14H2,1-3H3
InChIKeyAJHUYFBTDJHQDA-UHFFFAOYSA-N
XLogP4.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate (CID 70676553) is ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccccc1NCc1ccccc1.
What is the InChIKey of ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate?
The InChIKey is AJHUYFBTDJHQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-22-18(21)19(2,3)23-17-13-9-8-12-16(17)20-14-15-10-6-5-7-11-15/h5-13,20H,4,14H2,1-3H3.
What are the key properties of ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate?
ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate has a molecular weight of 313.40 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 70676553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).