2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide

C25H22N2O5 — CID 17358807

IUPAC2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)c1
InChIInChI=1S/C25H22N2O5/c1-14-4-5-15(2)22(12-14)31-16(3)23(28)26-17-6-8-18(9-7-17)32-19-10-11-20-21(13-19)25(30)27-24(20)29/h4-13,16H,1-3H3,(H,26,28)(H,27,29,30)
InChIKeyJDBMQQRPXSCFSP-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.39
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide

2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide (PubChem CID 17358807) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide
PubChem CID17358807
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)c1
InChIInChI=1S/C25H22N2O5/c1-14-4-5-15(2)22(12-14)31-16(3)23(28)26-17-6-8-18(9-7-17)32-19-10-11-20-21(13-19)25(30)27-24(20)29/h4-13,16H,1-3H3,(H,26,28)(H,27,29,30)
InChIKeyJDBMQQRPXSCFSP-UHFFFAOYSA-N
XLogP4.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
CID 4945102
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
(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
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide
CID 17130600
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
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-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide (CID 17358807) is 2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide is Cc1ccc(C)c(OC(C)C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide?
The InChIKey is JDBMQQRPXSCFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-14-4-5-15(2)22(12-14)31-16(3)23(28)26-17-6-8-18(9-7-17)32-19-10-11-20-21(13-19)25(30)27-24(20)29/h4-13,16H,1-3H3,(H,26,28)(H,27,29,30).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide?
2-(2,5-dimethylphenoxy)-N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide has a molecular weight of 430.46 g/mol, XLogP of 4.39, 6 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-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide is sourced from PubChem (CID 17358807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).