[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate

C25H25NO4 — CID 55383634

IUPAC[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H25NO4/c1-17-5-9-20(10-6-17)24(27)26(4)21-11-15-23(16-12-21)30-25(28)19(3)29-22-13-7-18(2)8-14-22/h5-16,19H,1-4H3
InChIKeyBIJPNGGTZIRFNS-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.95
Rot. Bonds6

About [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate (PubChem CID 55383634) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate
PubChem CID55383634
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H25NO4/c1-17-5-9-20(10-6-17)24(27)26(4)21-11-15-23(16-12-21)30-25(28)19(3)29-22-13-7-18(2)8-14-22/h5-16,19H,1-4H3
InChIKeyBIJPNGGTZIRFNS-UHFFFAOYSA-N
XLogP4.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate
CID 55505722
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate
CID 86847032
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
[4-[methyl-(4-methylbenzoyl)amino]phenyl] pyridine-4-carboxylate
CID 60594547
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate
CID 33186300
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3,4-difluorobenzoate
CID 33186533
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 4-nitrobenzoate
CID 33186021
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate
CID 33186848
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate
CID 33186337
N,4-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 61129425
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclohex-3-ene-1-carboxylate
CID 60594523

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate?
The IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate (CID 55383634) is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate.
What is the SMILES notation for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate?
The canonical SMILES for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate is Cc1ccc(OC(C)C(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate?
The InChIKey is BIJPNGGTZIRFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-17-5-9-20(10-6-17)24(27)26(4)21-11-15-23(16-12-21)30-25(28)19(3)29-22-13-7-18(2)8-14-22/h5-16,19H,1-4H3.
What are the key properties of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate?
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate has a molecular weight of 403.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate is sourced from PubChem (CID 55383634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).