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

C24H20N2O5 — CID 17342338

IUPACN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)cc1
InChIInChI=1S/C24H20N2O5/c1-30-17-7-2-15(3-8-17)4-13-22(27)25-16-5-9-18(10-6-16)31-19-11-12-20-21(14-19)24(29)26-23(20)28/h2-3,5-12,14H,4,13H2,1H3,(H,25,27)(H,26,28,29)
InChIKeyYPIIVSHXQCRQPM-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.94
Rot. Bonds7

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

N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 17342338) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID17342338
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC NameN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)cc1
InChIInChI=1S/C24H20N2O5/c1-30-17-7-2-15(3-8-17)4-13-22(27)25-16-5-9-18(10-6-16)31-19-11-12-20-21(14-19)24(29)26-23(20)28/h2-3,5-12,14H,4,13H2,1H3,(H,25,27)(H,26,28,29)
InChIKeyYPIIVSHXQCRQPM-UHFFFAOYSA-N
XLogP3.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.94
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

N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide
CID 109025969
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide
CID 2994686
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 46674282
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224448
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide (CID 17342338) is N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is YPIIVSHXQCRQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-30-17-7-2-15(3-8-17)4-13-22(27)25-16-5-9-18(10-6-16)31-19-11-12-20-21(14-19)24(29)26-23(20)28/h2-3,5-12,14H,4,13H2,1H3,(H,25,27)(H,26,28,29).
What are the key properties of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide?
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 416.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 17342338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).