ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate

C23H23NO5 — CID 71449302

IUPACethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H23NO5/c1-3-27-23(26)16(2)29-20-12-9-19(10-13-20)24-22(25)15-28-21-11-8-17-6-4-5-7-18(17)14-21/h4-14,16H,3,15H2,1-2H3,(H,24,25)
InChIKeyPWFDXCQYDBDNBC-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.19
Rot. Bonds8

About ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate

ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate (PubChem CID 71449302) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate
PubChem CID71449302
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Nameethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H23NO5/c1-3-27-23(26)16(2)29-20-12-9-19(10-13-20)24-22(25)15-28-21-11-8-17-6-4-5-7-18(17)14-21/h4-14,16H,3,15H2,1-2H3,(H,24,25)
InChIKeyPWFDXCQYDBDNBC-UHFFFAOYSA-N
XLogP4.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate (CID 71449302) is ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate?
The InChIKey is PWFDXCQYDBDNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-3-27-23(26)16(2)29-20-12-9-19(10-13-20)24-22(25)15-28-21-11-8-17-6-4-5-7-18(17)14-21/h4-14,16H,3,15H2,1-2H3,(H,24,25).
What are the key properties of ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate?
ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate has a molecular weight of 393.44 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenoxy]propanoate is sourced from PubChem (CID 71449302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).