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'}

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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).