N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide

C18H18N2O3 — CID 68522707

IUPACN-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide
SMILESCCCCN1C(=O)c2cc(NC(C)=O)c3ccccc3c2C1=O
InChIInChI=1S/C18H18N2O3/c1-3-4-9-20-17(22)14-10-15(19-11(2)21)12-7-5-6-8-13(12)16(14)18(20)23/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyJVYMKAOHAOHXDS-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.19
Rot. Bonds4

About N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide

N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide (PubChem CID 68522707) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide
PubChem CID68522707
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide
SMILESCCCCN1C(=O)c2cc(NC(C)=O)c3ccccc3c2C1=O
InChIInChI=1S/C18H18N2O3/c1-3-4-9-20-17(22)14-10-15(19-11(2)21)12-7-5-6-8-13(12)16(14)18(20)23/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyJVYMKAOHAOHXDS-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-10-yl]acetamide
CID 10339437
4-(methylamino)-2-pentylisoindole-1,3-dione
CID 117006093
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-(9-butyl-3-formylcarbazol-2-yl)acetamide
CID 102433142
2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
CID 11674020
5-chloro-2-[3-(dimethylamino)propyl]benzo[e]isoindole-1,3-dione
CID 90953676
N-(4-acetamido-3-chlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 25469263
2-heptyl-4,6-dihydroxyisoindole-1,3-dione
CID 132502949
6-(2-hydroxyethylamino)-2-octylbenzo[de]isoquinoline-1,3-dione
CID 44787344
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-dodecyl-4-phenylisoindole-1,3-dione
CID 70429574
7,18-dioctyl-10,15,21,25-tetraphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 102107213

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide?
The IUPAC name of N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide (CID 68522707) is N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide.
What is the SMILES notation for N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide?
The canonical SMILES for N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide is CCCCN1C(=O)c2cc(NC(C)=O)c3ccccc3c2C1=O.
What is the InChIKey of N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide?
The InChIKey is JVYMKAOHAOHXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-4-9-20-17(22)14-10-15(19-11(2)21)12-7-5-6-8-13(12)16(14)18(20)23/h5-8,10H,3-4,9H2,1-2H3,(H,19,21).
What are the key properties of N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide?
N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide is sourced from PubChem (CID 68522707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).