[4-(diethylamino)phenyl] benzoate

C17H19NO2 — CID 67071301

IUPAC[4-(diethylamino)phenyl] benzoate
SMILESCCN(CC)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-18(4-2)15-10-12-16(13-11-15)20-17(19)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyWZFOUELQWJUYIF-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.75
Rot. Bonds5

About [4-(diethylamino)phenyl] benzoate

[4-(diethylamino)phenyl] benzoate (PubChem CID 67071301) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [4-(diethylamino)phenyl] benzoate.

Molecular Properties

Compound Name[4-(diethylamino)phenyl] benzoate
PubChem CID67071301
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[4-(diethylamino)phenyl] benzoate
SMILESCCN(CC)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-18(4-2)15-10-12-16(13-11-15)20-17(19)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyWZFOUELQWJUYIF-UHFFFAOYSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate
CID 163872416
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
[5-(diethylamino)-2-methylphenyl] benzoate
CID 129225541
[4-(phenoxymethoxy)phenyl] benzoate
CID 20724331
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[4-[4-(dipropylamino)phenoxy]carbonylphenyl] 4-acetyloxybenzoate
CID 122542341
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
[4-(propylamino)phenyl] benzoate
CID 82532431
(4-pentanoylphenyl) benzoate
CID 175812207

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)phenyl] benzoate?
The IUPAC name of [4-(diethylamino)phenyl] benzoate (CID 67071301) is [4-(diethylamino)phenyl] benzoate.
What is the SMILES notation for [4-(diethylamino)phenyl] benzoate?
The canonical SMILES for [4-(diethylamino)phenyl] benzoate is CCN(CC)c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(diethylamino)phenyl] benzoate?
The InChIKey is WZFOUELQWJUYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-18(4-2)15-10-12-16(13-11-15)20-17(19)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3.
What are the key properties of [4-(diethylamino)phenyl] benzoate?
[4-(diethylamino)phenyl] benzoate has a molecular weight of 269.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)phenyl] benzoate is sourced from PubChem (CID 67071301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).