ethyl 2-[4-(dimethylamino)benzoyl]benzoate

C18H19NO3 — CID 2825055

IUPACethyl 2-[4-(dimethylamino)benzoyl]benzoate
SMILESCCOC(=O)c1ccccc1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H19NO3/c1-4-22-18(21)16-8-6-5-7-15(16)17(20)13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3
InChIKeyIPWXAQGUPNYWJJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.16
Rot. Bonds5

About ethyl 2-[4-(dimethylamino)benzoyl]benzoate

ethyl 2-[4-(dimethylamino)benzoyl]benzoate (PubChem CID 2825055) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 2-[4-(dimethylamino)benzoyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[4-(dimethylamino)benzoyl]benzoate
PubChem CID2825055
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 2-[4-(dimethylamino)benzoyl]benzoate
SMILESCCOC(=O)c1ccccc1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H19NO3/c1-4-22-18(21)16-8-6-5-7-15(16)17(20)13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3
InChIKeyIPWXAQGUPNYWJJ-UHFFFAOYSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(dimethylamino)benzoyl]benzoate?
The IUPAC name of ethyl 2-[4-(dimethylamino)benzoyl]benzoate (CID 2825055) is ethyl 2-[4-(dimethylamino)benzoyl]benzoate.
What is the SMILES notation for ethyl 2-[4-(dimethylamino)benzoyl]benzoate?
The canonical SMILES for ethyl 2-[4-(dimethylamino)benzoyl]benzoate is CCOC(=O)c1ccccc1C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of ethyl 2-[4-(dimethylamino)benzoyl]benzoate?
The InChIKey is IPWXAQGUPNYWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-4-22-18(21)16-8-6-5-7-15(16)17(20)13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 2-[4-(dimethylamino)benzoyl]benzoate?
ethyl 2-[4-(dimethylamino)benzoyl]benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(dimethylamino)benzoyl]benzoate is sourced from PubChem (CID 2825055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).