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

C24H23NO5 — CID 19180132

IUPAC[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C24H23NO5/c1-16-5-4-6-22(17(16)2)29-15-23(26)30-21-11-7-18(8-12-21)24(27)25-19-9-13-20(28-3)14-10-19/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyBAKBMHQVRIYEFF-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.55
Rot. Bonds7

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

[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate (PubChem CID 19180132) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
PubChem CID19180132
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C24H23NO5/c1-16-5-4-6-22(17(16)2)29-15-23(26)30-21-11-7-18(8-12-21)24(27)25-19-9-13-20(28-3)14-10-19/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyBAKBMHQVRIYEFF-UHFFFAOYSA-N
XLogP4.55
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.55
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-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate
CID 19180167
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266767
(2,3-dimethylphenyl) 2-(4-methoxyphenoxy)acetate
CID 4927357
N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide
CID 7709107
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 19180152
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407145
[3-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 39115578
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate
CID 1193357
benzyl 4-[2-(2,3-dimethylphenoxy)acetyl]oxybenzoate
CID 19180126

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate?
The IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate (CID 19180132) is [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate.
What is the SMILES notation for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate?
The canonical SMILES for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate is COc1ccc(NC(=O)c2ccc(OC(=O)COc3cccc(C)c3C)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate?
The InChIKey is BAKBMHQVRIYEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-16-5-4-6-22(17(16)2)29-15-23(26)30-21-11-7-18(8-12-21)24(27)25-19-9-13-20(28-3)14-10-19/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate?
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate has a molecular weight of 405.45 g/mol, XLogP of 4.55, 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)acetate is sourced from PubChem (CID 19180132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).