[4-(diethylcarbamoyl)phenyl] benzoate

C18H19NO3 — CID 139836095

IUPAC[4-(diethylcarbamoyl)phenyl] benzoate
SMILESCCN(CC)C(=O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-3-19(4-2)17(20)14-10-12-16(13-11-14)22-18(21)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChIKeyWIXTTYUYSFEWES-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.39
Rot. Bonds5

About [4-(diethylcarbamoyl)phenyl] benzoate

[4-(diethylcarbamoyl)phenyl] benzoate (PubChem CID 139836095) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [4-(diethylcarbamoyl)phenyl] benzoate.

Molecular Properties

Compound Name[4-(diethylcarbamoyl)phenyl] benzoate
PubChem CID139836095
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[4-(diethylcarbamoyl)phenyl] benzoate
SMILESCCN(CC)C(=O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-3-19(4-2)17(20)14-10-12-16(13-11-14)22-18(21)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChIKeyWIXTTYUYSFEWES-UHFFFAOYSA-N
XLogP3.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.39
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-(diethylcarbamoyl)phenyl] acetate
CID 683590
[4-(diethylamino)phenyl] benzoate
CID 67071301
[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate
CID 163872416
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
(4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate
CID 18837712
[4-(phenoxymethoxy)phenyl] benzoate
CID 20724331
tripotassium;N,N-diethylbenzamide;tritetrafluoroborate
CID 121234148
(4-pentanoylphenyl) benzoate
CID 175812207
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
(4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate
CID 2678971
2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027

Frequently Asked Questions

What is the IUPAC name of [4-(diethylcarbamoyl)phenyl] benzoate?
The IUPAC name of [4-(diethylcarbamoyl)phenyl] benzoate (CID 139836095) is [4-(diethylcarbamoyl)phenyl] benzoate.
What is the SMILES notation for [4-(diethylcarbamoyl)phenyl] benzoate?
The canonical SMILES for [4-(diethylcarbamoyl)phenyl] benzoate is CCN(CC)C(=O)c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(diethylcarbamoyl)phenyl] benzoate?
The InChIKey is WIXTTYUYSFEWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-19(4-2)17(20)14-10-12-16(13-11-14)22-18(21)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3.
What are the key properties of [4-(diethylcarbamoyl)phenyl] benzoate?
[4-(diethylcarbamoyl)phenyl] benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylcarbamoyl)phenyl] benzoate is sourced from PubChem (CID 139836095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).