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

C25H25NO5 — CID 55505722

IUPAC[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H25NO5/c1-17-5-7-19(8-6-17)24(27)26(3)20-9-11-23(12-10-20)31-25(28)18(2)30-22-15-13-21(29-4)14-16-22/h5-16,18H,1-4H3
InChIKeyAJTFGGBBFJMAOR-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.65
Rot. Bonds7

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

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate (PubChem CID 55505722) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate
PubChem CID55505722
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H25NO5/c1-17-5-7-19(8-6-17)24(27)26(3)20-9-11-23(12-10-20)31-25(28)18(2)30-22-15-13-21(29-4)14-16-22/h5-16,18H,1-4H3
InChIKeyAJTFGGBBFJMAOR-UHFFFAOYSA-N
XLogP4.65
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methylphenoxy)propanoate
CID 55383634
[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] 1-benzofuran-2-carboxylate
CID 33186848
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3,4-difluorobenzoate
CID 33186533
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 4-nitrobenzoate
CID 33186021
naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
CID 18837899
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate
CID 33186337

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate?
The IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate (CID 55505722) is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate?
The canonical SMILES for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate is COc1ccc(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-methoxyphenoxy)propanoate?
The InChIKey is AJTFGGBBFJMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-17-5-7-19(8-6-17)24(27)26(3)20-9-11-23(12-10-20)31-25(28)18(2)30-22-15-13-21(29-4)14-16-22/h5-16,18H,1-4H3.
What are the key properties of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate?
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate has a molecular weight of 419.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 55505722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).