ethyl 3-[4-(dimethylamino)phenyl]benzoate

C17H19NO2 — CID 19430206

IUPACethyl 3-[4-(dimethylamino)phenyl]benzoate
SMILESCCOC(=O)c1cccc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H19NO2/c1-4-20-17(19)15-7-5-6-14(12-15)13-8-10-16(11-9-13)18(2)3/h5-12H,4H2,1-3H3
InChIKeyZBLMYNLYQZDCLU-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.60
Rot. Bonds4

About ethyl 3-[4-(dimethylamino)phenyl]benzoate

ethyl 3-[4-(dimethylamino)phenyl]benzoate (PubChem CID 19430206) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 3-[4-(dimethylamino)phenyl]benzoate.

Molecular Properties

Compound Nameethyl 3-[4-(dimethylamino)phenyl]benzoate
PubChem CID19430206
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl 3-[4-(dimethylamino)phenyl]benzoate
SMILESCCOC(=O)c1cccc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H19NO2/c1-4-20-17(19)15-7-5-6-14(12-15)13-8-10-16(11-9-13)18(2)3/h5-12H,4H2,1-3H3
InChIKeyZBLMYNLYQZDCLU-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(dimethylamino)phenyl]benzoate?
The IUPAC name of ethyl 3-[4-(dimethylamino)phenyl]benzoate (CID 19430206) is ethyl 3-[4-(dimethylamino)phenyl]benzoate.
What is the SMILES notation for ethyl 3-[4-(dimethylamino)phenyl]benzoate?
The canonical SMILES for ethyl 3-[4-(dimethylamino)phenyl]benzoate is CCOC(=O)c1cccc(-c2ccc(N(C)C)cc2)c1.
What is the InChIKey of ethyl 3-[4-(dimethylamino)phenyl]benzoate?
The InChIKey is ZBLMYNLYQZDCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-20-17(19)15-7-5-6-14(12-15)13-8-10-16(11-9-13)18(2)3/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 3-[4-(dimethylamino)phenyl]benzoate?
ethyl 3-[4-(dimethylamino)phenyl]benzoate has a molecular weight of 269.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(dimethylamino)phenyl]benzoate is sourced from PubChem (CID 19430206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).