N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide

C24H32N4O5 — CID 175828828

IUPACN-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide
SMILESCC(=O)NCCCCCCCCNc1cccc2c1CC(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H32N4O5/c1-16(29)25-13-6-4-2-3-5-7-14-26-19-10-8-9-17-18(19)15-22(31)28(24(17)33)20-11-12-21(30)27-23(20)32/h8-10,20,26H,2-7,11-15H2,1H3,(H,25,29)(H,27,30,32)
InChIKeyJDAIIEUCNYHSNC-UHFFFAOYSA-N
MW456.54 g/mol
LogP1.91
Rot. Bonds11

About N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide

N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide (PubChem CID 175828828) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide.

Molecular Properties

Compound NameN-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide
PubChem CID175828828
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide
SMILESCC(=O)NCCCCCCCCNc1cccc2c1CC(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H32N4O5/c1-16(29)25-13-6-4-2-3-5-7-14-26-19-10-8-9-17-18(19)15-22(31)28(24(17)33)20-11-12-21(30)27-23(20)32/h8-10,20,26H,2-7,11-15H2,1H3,(H,25,29)(H,27,30,32)
InChIKeyJDAIIEUCNYHSNC-UHFFFAOYSA-N
XLogP1.91
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
2-(2,6-dioxopiperidin-3-yl)-4-(6-oxoheptylamino)isoindole-1,3-dione;ethane
CID 170704031
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide
CID 154003382
tert-butyl N-[6-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]hexyl]carbamate
CID 163320884
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]pentyl]acetamide
CID 154689456
tert-butyl N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]carbamate
CID 138467204
tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate
CID 146410711
(2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate
CID 175547456
6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid
CID 154675498
1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-pyridin-4-ylurea
CID 166427163

Frequently Asked Questions

What is the IUPAC name of N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide?
The IUPAC name of N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide (CID 175828828) is N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide.
What is the SMILES notation for N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide?
The canonical SMILES for N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide is CC(=O)NCCCCCCCCNc1cccc2c1CC(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide?
The InChIKey is JDAIIEUCNYHSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-16(29)25-13-6-4-2-3-5-7-14-26-19-10-8-9-17-18(19)15-22(31)28(24(17)33)20-11-12-21(30)27-23(20)32/h8-10,20,26H,2-7,11-15H2,1H3,(H,25,29)(H,27,30,32).
What are the key properties of N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide?
N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide has a molecular weight of 456.54 g/mol, XLogP of 1.91, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-5-yl]amino]octyl]acetamide is sourced from PubChem (CID 175828828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).