[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate

C25H25NO4 — CID 53265910

IUPAC[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate
SMILESCc1cccc(OC(C)C(=O)Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)c1
InChIInChI=1S/C25H25NO4/c1-16-6-5-7-22(14-16)29-19(4)25(28)30-21-12-10-20(11-13-21)24(27)26-23-15-17(2)8-9-18(23)3/h5-15,19H,1-4H3,(H,26,27)
InChIKeyXDMBBYJZSOWDJO-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.24
Rot. Bonds6

About [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate

[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate (PubChem CID 53265910) 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-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate
PubChem CID53265910
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate
SMILESCc1cccc(OC(C)C(=O)Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)c1
InChIInChI=1S/C25H25NO4/c1-16-6-5-7-22(14-16)29-19(4)25(28)30-21-12-10-20(11-13-21)24(27)26-23-15-17(2)8-9-18(23)3/h5-15,19H,1-4H3,(H,26,27)
InChIKeyXDMBBYJZSOWDJO-UHFFFAOYSA-N
XLogP5.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.24
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-(2,5-dimethylphenoxy)propanoate
CID 53266948
(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate
CID 8915502
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate
CID 53267249
propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3712073
methyl 2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4231793
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 19180225
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 4-bromobenzoate
CID 19184755
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266760
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(3,5-dimethylphenoxy)propanoate
CID 53266246
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2-propan-2-ylphenoxy)acetate
CID 19180243
(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid
CID 7137692

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate?
The IUPAC name of [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate (CID 53265910) is [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate.
What is the SMILES notation for [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate?
The canonical SMILES for [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate is Cc1cccc(OC(C)C(=O)Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)c1.
What is the InChIKey of [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate?
The InChIKey is XDMBBYJZSOWDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-16-6-5-7-22(14-16)29-19(4)25(28)30-21-12-10-20(11-13-21)24(27)26-23-15-17(2)8-9-18(23)3/h5-15,19H,1-4H3,(H,26,27).
What are the key properties of [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate?
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate has a molecular weight of 403.48 g/mol, XLogP of 5.24, 6 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-(3-methylphenoxy)propanoate is sourced from PubChem (CID 53265910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).