methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide

C18H21N3O5 — CID 158707870

IUPACmethane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
SMILESC.CCC(=O)Nc1cccc2c1C(=O)N(C1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H17N3O5.CH4/c1-3-11(21)18-10-6-4-5-9-13(10)15(24)20(14(9)23)17(2)8-7-12(22)19-16(17)25;/h4-6H,3,7-8H2,1-2H3,(H,18,21)(H,19,22,25);1H4
InChIKeyIIIOZVQHDHDZIJ-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.46
Rot. Bonds3

About methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide

methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide (PubChem CID 158707870) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide.

Molecular Properties

Compound Namemethane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
PubChem CID158707870
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Namemethane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
SMILESC.CCC(=O)Nc1cccc2c1C(=O)N(C1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H17N3O5.CH4/c1-3-11(21)18-10-6-4-5-9-13(10)15(24)20(14(9)23)17(2)8-7-12(22)19-16(17)25;/h4-6H,3,7-8H2,1-2H3,(H,18,21)(H,19,22,25);1H4
InChIKeyIIIOZVQHDHDZIJ-UHFFFAOYSA-N
XLogP1.46
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.46
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-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 11530279
2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide
CID 86607663
N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
CID 142663798
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
CID 58572144
4-(2,4-dimethoxyanilino)-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 58827353
2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-4-nitroisoindole-1,3-dione
CID 10805414
N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 91166963
5-(3-methyl-2,6-dioxopiperidin-3-yl)-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione
CID 59765280
5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione
CID 59765318
2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide
CID 143269994
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;sulfane
CID 157200020

Frequently Asked Questions

What is the IUPAC name of methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide?
The IUPAC name of methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide (CID 158707870) is methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide.
What is the SMILES notation for methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide?
The canonical SMILES for methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide is C.CCC(=O)Nc1cccc2c1C(=O)N(C1(C)CCC(=O)NC1=O)C2=O.
What is the InChIKey of methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide?
The InChIKey is IIIOZVQHDHDZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5.CH4/c1-3-11(21)18-10-6-4-5-9-13(10)15(24)20(14(9)23)17(2)8-7-12(22)19-16(17)25;/h4-6H,3,7-8H2,1-2H3,(H,18,21)(H,19,22,25);1H4.
What are the key properties of methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide?
methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide has a molecular weight of 359.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide is sourced from PubChem (CID 158707870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).