[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate

C25H25NO4 — CID 19180303

IUPAC[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H25NO4/c1-4-19-7-5-6-8-23(19)29-16-24(27)30-21-13-11-20(12-14-21)25(28)26-22-15-17(2)9-10-18(22)3/h5-15H,4,16H2,1-3H3,(H,26,28)
InChIKeyAYMKJORULIXARZ-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.10
Rot. Bonds7

About [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate

[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate (PubChem CID 19180303) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate.

Molecular Properties

Compound Name[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate
PubChem CID19180303
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H25NO4/c1-4-19-7-5-6-8-23(19)29-16-24(27)30-21-13-11-20(12-14-21)25(28)26-22-15-17(2)9-10-18(22)3/h5-15H,4,16H2,1-3H3,(H,26,28)
InChIKeyAYMKJORULIXARZ-UHFFFAOYSA-N
XLogP5.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-propan-2-ylphenoxy)acetate
CID 19180243
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(4-ethoxyphenoxy)acetate
CID 19180385
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2,3,5-trimethylphenoxy)acetate
CID 19180365
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 19180225
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407145
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 2-(2,3,5-trimethylphenoxy)acetate
CID 19180367
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 2-(2,4-dibromophenoxy)acetate
CID 19179693
2-(2-amino-2-oxoethoxy)-N-(2,5-dimethylphenyl)benzamide
CID 34795428
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate
CID 1193357
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate?
The IUPAC name of [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate (CID 19180303) is [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate.
What is the SMILES notation for [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate?
The canonical SMILES for [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate is CCc1ccccc1OCC(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate?
The InChIKey is AYMKJORULIXARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-4-19-7-5-6-8-23(19)29-16-24(27)30-21-13-11-20(12-14-21)25(28)26-22-15-17(2)9-10-18(22)3/h5-15H,4,16H2,1-3H3,(H,26,28).
What are the key properties of [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate?
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate has a molecular weight of 403.48 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-ethylphenoxy)acetate is sourced from PubChem (CID 19180303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).