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

C25H25NO4 — CID 53266760

IUPAC[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
SMILESCc1ccc(NC(=O)c2ccc(OC(=O)C(C)Oc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C25H25NO4/c1-16-8-12-21(13-9-16)26-24(27)20-10-14-22(15-11-20)30-25(28)19(4)29-23-7-5-6-17(2)18(23)3/h5-15,19H,1-4H3,(H,26,27)
InChIKeyONCIMVLYSLLPKD-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.24
Rot. Bonds6

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

[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate (PubChem CID 53266760) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
PubChem CID53266760
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
SMILESCc1ccc(NC(=O)c2ccc(OC(=O)C(C)Oc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C25H25NO4/c1-16-8-12-21(13-9-16)26-24(27)20-10-14-22(15-11-20)30-25(28)19(4)29-23-7-5-6-17(2)18(23)3/h5-15,19H,1-4H3,(H,26,27)
InChIKeyONCIMVLYSLLPKD-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-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266767
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266780
[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-[(4-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4252995
[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate
CID 53266389
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-tert-butylphenoxy)propanoate
CID 53266390
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2,5-dimethylphenoxy)propanoate
CID 53266948
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate
CID 53265910
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(3,5-dimethylphenoxy)propanoate
CID 53266246
ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930551
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 19180132

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate?
The IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate (CID 53266760) is [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate.
What is the SMILES notation for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate?
The canonical SMILES for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate is Cc1ccc(NC(=O)c2ccc(OC(=O)C(C)Oc3cccc(C)c3C)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate?
The InChIKey is ONCIMVLYSLLPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-16-8-12-21(13-9-16)26-24(27)20-10-14-22(15-11-20)30-25(28)19(4)29-23-7-5-6-17(2)18(23)3/h5-15,19H,1-4H3,(H,26,27).
What are the key properties of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate?
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)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-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate is sourced from PubChem (CID 53266760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).