3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide

C17H19N3O5 — CID 110710106

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide
SMILESCN1CC(CNC(=O)CCN2C(=O)c3ccccc3C2=O)OCC1=O
InChIInChI=1S/C17H19N3O5/c1-19-9-11(25-10-15(19)22)8-18-14(21)6-7-20-16(23)12-4-2-3-5-13(12)17(20)24/h2-5,11H,6-10H2,1H3,(H,18,21)
InChIKeyHHUIIBUEBAVYGW-UHFFFAOYSA-N
MW345.36 g/mol
LogP-0.35
Rot. Bonds5

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

3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide (PubChem CID 110710106) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide
PubChem CID110710106
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide
SMILESCN1CC(CNC(=O)CCN2C(=O)c3ccccc3C2=O)OCC1=O
InChIInChI=1S/C17H19N3O5/c1-19-9-11(25-10-15(19)22)8-18-14(21)6-7-20-16(23)12-4-2-3-5-13(12)17(20)24/h2-5,11H,6-10H2,1H3,(H,18,21)
InChIKeyHHUIIBUEBAVYGW-UHFFFAOYSA-N
XLogP-0.35
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.35
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-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110710351
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide
CID 110710104
2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide
CID 110710097
4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide
CID 131949422
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide
CID 108540726
N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110731979
N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide
CID 110367217
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide
CID 163318095
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
CID 110359311
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide
CID 90651533
3-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714611
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
CID 110367688

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide (CID 110710106) is 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide is CN1CC(CNC(=O)CCN2C(=O)c3ccccc3C2=O)OCC1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide?
The InChIKey is HHUIIBUEBAVYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-19-9-11(25-10-15(19)22)8-18-14(21)6-7-20-16(23)12-4-2-3-5-13(12)17(20)24/h2-5,11H,6-10H2,1H3,(H,18,21).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide has a molecular weight of 345.36 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide is sourced from PubChem (CID 110710106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).