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

C25H25NO4 — CID 53267249

IUPAC[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate
SMILESCCc1cccc(OC(C)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C25H25NO4/c1-4-19-6-5-7-23(16-19)29-18(3)25(28)30-22-14-10-20(11-15-22)24(27)26-21-12-8-17(2)9-13-21/h5-16,18H,4H2,1-3H3,(H,26,27)
InChIKeyULDNHFIBJXRGFK-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.18
Rot. Bonds7

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

[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate (PubChem CID 53267249) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate
PubChem CID53267249
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate
SMILESCCc1cccc(OC(C)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C25H25NO4/c1-4-19-6-5-7-23(16-19)29-18(3)25(28)30-22-14-10-20(11-15-22)24(27)26-21-12-8-17(2)9-13-21/h5-16,18H,4H2,1-3H3,(H,26,27)
InChIKeyULDNHFIBJXRGFK-UHFFFAOYSA-N
XLogP5.18
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 ≤ 55.18
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-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266760
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate
CID 53265910
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(3,5-dimethylphenoxy)propanoate
CID 53266246
propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4252995
(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate
CID 8915502
ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930551
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
[4-(1,3-dioxoisoindol-2-yl)phenyl] 2-(3-ethylphenoxy)propanoate
CID 53267142
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266767

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate?
The IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate (CID 53267249) is [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate.
What is the SMILES notation for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate?
The canonical SMILES for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate is CCc1cccc(OC(C)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)c1.
What is the InChIKey of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate?
The InChIKey is ULDNHFIBJXRGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-4-19-6-5-7-23(16-19)29-18(3)25(28)30-22-14-10-20(11-15-22)24(27)26-21-12-8-17(2)9-13-21/h5-16,18H,4H2,1-3H3,(H,26,27).
What are the key properties of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate?
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate has a molecular weight of 403.48 g/mol, XLogP of 5.18, 7 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-(3-ethylphenoxy)propanoate is sourced from PubChem (CID 53267249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).