[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate

C25H25NO5 — CID 53266767

IUPAC[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)C(C)Oc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C25H25NO5/c1-16-6-5-7-23(17(16)2)30-18(3)25(28)31-22-12-8-19(9-13-22)24(27)26-20-10-14-21(29-4)15-11-20/h5-15,18H,1-4H3,(H,26,27)
InChIKeyBXUSOYFZVSXYKU-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.94
Rot. Bonds7

About [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate

[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate (PubChem CID 53266767) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
PubChem CID53266767
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)C(C)Oc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C25H25NO5/c1-16-6-5-7-23(17(16)2)30-18(3)25(28)31-22-12-8-19(9-13-22)24(27)26-20-10-14-21(29-4)15-11-20/h5-15,18H,1-4H3,(H,26,27)
InChIKeyBXUSOYFZVSXYKU-UHFFFAOYSA-N
XLogP4.94
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266760
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266780
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-tert-butylphenoxy)propanoate
CID 53266390
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 19180132
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
N-(4-methoxyphenyl)-4-[(2R)-1-(2-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7709088
[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate
CID 53266389
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113017268
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 9411974
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate
CID 53267249
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 5087489

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate?
The IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate (CID 53266767) is [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate.
What is the SMILES notation for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate?
The canonical SMILES for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate is COc1ccc(NC(=O)c2ccc(OC(=O)C(C)Oc3cccc(C)c3C)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate?
The InChIKey is BXUSOYFZVSXYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-16-6-5-7-23(17(16)2)30-18(3)25(28)31-22-12-8-19(9-13-22)24(27)26-20-10-14-21(29-4)15-11-20/h5-15,18H,1-4H3,(H,26,27).
What are the key properties of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate?
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate has a molecular weight of 419.48 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate is sourced from PubChem (CID 53266767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).