(4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate

C25H25NO5 — CID 18837712

IUPAC(4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate
SMILESCCN(CC)C(=O)c1ccc(OCC(=O)Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO5/c1-3-26(4-2)25(28)19-10-12-20(13-11-19)29-18-24(27)31-23-16-14-22(15-17-23)30-21-8-6-5-7-9-21/h5-17H,3-4,18H2,1-2H3
InChIKeyUDSCYOZPSSDKQU-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.95
Rot. Bonds9

About (4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate

(4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate (PubChem CID 18837712) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is (4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate.

Molecular Properties

Compound Name(4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate
PubChem CID18837712
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name(4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate
SMILESCCN(CC)C(=O)c1ccc(OCC(=O)Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO5/c1-3-26(4-2)25(28)19-10-12-20(13-11-19)29-18-24(27)31-23-16-14-22(15-17-23)30-21-8-6-5-7-9-21/h5-17H,3-4,18H2,1-2H3
InChIKeyUDSCYOZPSSDKQU-UHFFFAOYSA-N
XLogP4.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate
CID 78902194
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
[4-(diethylcarbamoyl)phenyl] acetate
CID 683590
N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92686107
N,N-diethyl-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 18837658
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide
CID 46433016
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate?
The IUPAC name of (4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate (CID 18837712) is (4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate.
What is the SMILES notation for (4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate?
The canonical SMILES for (4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate is CCN(CC)C(=O)c1ccc(OCC(=O)Oc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate?
The InChIKey is UDSCYOZPSSDKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-3-26(4-2)25(28)19-10-12-20(13-11-19)29-18-24(27)31-23-16-14-22(15-17-23)30-21-8-6-5-7-9-21/h5-17H,3-4,18H2,1-2H3.
What are the key properties of (4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate?
(4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate has a molecular weight of 419.48 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate is sourced from PubChem (CID 18837712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).