2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide

C34H36N2O5 — CID 4945102

IUPAC2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(Oc3ccc(NC(=O)C(C)Oc4cc(C)ccc4C)cc3)cc2)c1
InChIInChI=1S/C34H36N2O5/c1-21-7-9-23(3)31(19-21)39-25(5)33(37)35-27-11-15-29(16-12-27)41-30-17-13-28(14-18-30)36-34(38)26(6)40-32-20-22(2)8-10-24(32)4/h7-20,25-26H,1-6H3,(H,35,37)(H,36,38)
InChIKeyFHROPMWQNZVGBT-UHFFFAOYSA-N
MW552.67 g/mol
LogP7.52
Rot. Bonds10

About 2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide

2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide (PubChem CID 4945102) has the molecular formula C34H36N2O5 and a molecular weight of 552.67 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
PubChem CID4945102
Molecular FormulaC34H36N2O5
Molecular Weight552.67 g/mol
Exact Mass552.26
IUPAC Name2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(Oc3ccc(NC(=O)C(C)Oc4cc(C)ccc4C)cc3)cc2)c1
InChIInChI=1S/C34H36N2O5/c1-21-7-9-23(3)31(19-21)39-25(5)33(37)35-27-11-15-29(16-12-27)41-30-17-13-28(14-18-30)36-34(38)26(6)40-32-20-22(2)8-10-24(32)4/h7-20,25-26H,1-6H3,(H,35,37)(H,36,38)
InChIKeyFHROPMWQNZVGBT-UHFFFAOYSA-N
XLogP7.52
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.67
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide
CID 17358807
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 53266988
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 9296809
2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide
CID 17130600
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide
CID 17235031
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide (CID 4945102) is 2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide is Cc1ccc(C)c(OC(C)C(=O)Nc2ccc(Oc3ccc(NC(=O)C(C)Oc4cc(C)ccc4C)cc3)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide?
The InChIKey is FHROPMWQNZVGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O5/c1-21-7-9-23(3)31(19-21)39-25(5)33(37)35-27-11-15-29(16-12-27)41-30-17-13-28(14-18-30)36-34(38)26(6)40-32-20-22(2)8-10-24(32)4/h7-20,25-26H,1-6H3,(H,35,37)(H,36,38).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide?
2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide has a molecular weight of 552.67 g/mol, XLogP of 7.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide is sourced from PubChem (CID 4945102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).