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

C28H32N2O4 — CID 4945097

IUPAC2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(NC(=O)C(C)Oc3cc(C)ccc3C)cc2)c1
InChIInChI=1S/C28H32N2O4/c1-17-7-9-19(3)25(15-17)33-21(5)27(31)29-23-11-13-24(14-12-23)30-28(32)22(6)34-26-16-18(2)8-10-20(26)4/h7-16,21-22H,1-6H3,(H,29,31)(H,30,32)
InChIKeyARLBNJSCSAANMK-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.73
Rot. Bonds8

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

2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide (PubChem CID 4945097) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
PubChem CID4945097
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(NC(=O)C(C)Oc3cc(C)ccc3C)cc2)c1
InChIInChI=1S/C28H32N2O4/c1-17-7-9-19(3)25(15-17)33-21(5)27(31)29-23-11-13-24(14-12-23)30-28(32)22(6)34-26-16-18(2)8-10-20(26)4/h7-16,21-22H,1-6H3,(H,29,31)(H,30,32)
InChIKeyARLBNJSCSAANMK-UHFFFAOYSA-N
XLogP5.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
CID 4945102
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 53266988
4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide
CID 17235031
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 9296809
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710
(2R)-2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95712980
2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide
CID 17130600
2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 4944790

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide (CID 4945097) is 2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide is Cc1ccc(C)c(OC(C)C(=O)Nc2ccc(NC(=O)C(C)Oc3cc(C)ccc3C)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide?
The InChIKey is ARLBNJSCSAANMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-17-7-9-19(3)25(15-17)33-21(5)27(31)29-23-11-13-24(14-12-23)30-28(32)22(6)34-26-16-18(2)8-10-20(26)4/h7-16,21-22H,1-6H3,(H,29,31)(H,30,32).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide?
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide has a molecular weight of 460.57 g/mol, XLogP of 5.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide is sourced from PubChem (CID 4945097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).