N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide

C22H22N2O5 — CID 17362050

IUPACN-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
SMILESCCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1
InChIInChI=1S/C22H22N2O5/c1-2-20(25)23-14-5-3-6-15(11-14)29-16-8-9-18-19(12-16)22(27)24(21(18)26)13-17-7-4-10-28-17/h3,5-6,8-9,11-12,17H,2,4,7,10,13H2,1H3,(H,23,25)
InChIKeyNTGNTWWERNXMBH-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.60
Rot. Bonds6

About N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide

N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide (PubChem CID 17362050) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
PubChem CID17362050
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
SMILESCCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1
InChIInChI=1S/C22H22N2O5/c1-2-20(25)23-14-5-3-6-15(11-14)29-16-8-9-18-19(12-16)22(27)24(21(18)26)13-17-7-4-10-28-17/h3,5-6,8-9,11-12,17H,2,4,7,10,13H2,1H3,(H,23,25)
InChIKeyNTGNTWWERNXMBH-UHFFFAOYSA-N
XLogP3.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362062
2-(4-chlorophenyl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]acetamide
CID 17361940
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide
CID 17362007
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-ethoxybenzamide
CID 17361930
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-fluorobenzamide
CID 17361913
2-(3,4-dimethylphenoxy)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
CID 17362136
2-(2,4-dichlorophenoxy)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]acetamide
CID 17362023
2-chloro-N-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]acetamide
CID 17362533
5-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxy-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 1231025
[3-[[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]carbamoyl]phenyl] propanoate
CID 17362437
N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]-4-(propanoylamino)benzamide
CID 2221820
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 17362103

Frequently Asked Questions

What is the IUPAC name of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide?
The IUPAC name of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide (CID 17362050) is N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide.
What is the SMILES notation for N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide?
The canonical SMILES for N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide is CCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1.
What is the InChIKey of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide?
The InChIKey is NTGNTWWERNXMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-2-20(25)23-14-5-3-6-15(11-14)29-16-8-9-18-19(12-16)22(27)24(21(18)26)13-17-7-4-10-28-17/h3,5-6,8-9,11-12,17H,2,4,7,10,13H2,1H3,(H,23,25).
What are the key properties of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide?
N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide has a molecular weight of 394.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide is sourced from PubChem (CID 17362050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).