ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide

C18H25N3O4 — CID 171627716

IUPACethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
SMILESCC.CCNc1cccc2c1C(=O)N(C(C=O)CCC(=O)NC)C2=O
InChIInChI=1S/C16H19N3O4.C2H6/c1-3-18-12-6-4-5-11-14(12)16(23)19(15(11)22)10(9-20)7-8-13(21)17-2;1-2/h4-6,9-10,18H,3,7-8H2,1-2H3,(H,17,21);1-2H3
InChIKeyCJYVOTUJUIFYOO-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.83
Rot. Bonds7

About ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide

ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide (PubChem CID 171627716) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Nameethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
PubChem CID171627716
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nameethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
SMILESCC.CCNc1cccc2c1C(=O)N(C(C=O)CCC(=O)NC)C2=O
InChIInChI=1S/C16H19N3O4.C2H6/c1-3-18-12-6-4-5-11-14(12)16(23)19(15(11)22)10(9-20)7-8-13(21)17-2;1-2/h4-6,9-10,18H,3,7-8H2,1-2H3,(H,17,21);1-2H3
InChIKeyCJYVOTUJUIFYOO-UHFFFAOYSA-N
XLogP1.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxy-1,3-dioxoisoindol-2-yl)-N-methyl-5-oxopentanamide
CID 155715420
tert-butyl 3-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]propanoate
CID 167164151
4-(1,3-dioxo-4-sulfanylisoindol-2-yl)-N-methyl-5-oxopentanamide
CID 154689661
4-[4-[2-(2-azaspiro[3.3]heptan-6-yl)ethylamino]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
CID 155752229
N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane
CID 154659354
tert-butyl 4-[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]oxypiperidine-1-carboxylate
CID 170701570
4-(1,3-dioxo-5-sulfanylisoindol-2-yl)-N-methyl-5-oxopentanamide
CID 166921461
4-[1,3-dioxo-4-[2-oxo-2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]isoindol-2-yl]-N-methyl-5-oxopentanamide;formaldehyde
CID 145256247
1-[[4-[6-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]hexylamino]phenyl]methyl]indole-6-carboxamide
CID 170703843
2-[1,3-dioxo-4-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethylamino]isoindol-2-yl]pentanal
CID 142612079
methyl 4-(1,3-dioxoisoindol-2-yl)-5-oxopentanoate
CID 170747823
N-methyl-4-[7-[4-(methylamino)butanoylamino]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 156882689

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide (CID 171627716) is ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide is CC.CCNc1cccc2c1C(=O)N(C(C=O)CCC(=O)NC)C2=O.
What is the InChIKey of ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide?
The InChIKey is CJYVOTUJUIFYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4.C2H6/c1-3-18-12-6-4-5-11-14(12)16(23)19(15(11)22)10(9-20)7-8-13(21)17-2;1-2/h4-6,9-10,18H,3,7-8H2,1-2H3,(H,17,21);1-2H3.
What are the key properties of ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide?
ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide has a molecular weight of 347.42 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 171627716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).