2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide

C17H15N3O4 — CID 142676185

IUPAC2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide
SMILESNC(=O)CCC(C(N)=O)N1C(=O)c2ccc3ccccc3c2C1=O
InChIInChI=1S/C17H15N3O4/c18-13(21)8-7-12(15(19)22)20-16(23)11-6-5-9-3-1-2-4-10(9)14(11)17(20)24/h1-6,12H,7-8H2,(H2,18,21)(H2,19,22)
InChIKeyKFFOKSBRPKWMFE-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.56
Rot. Bonds5

About 2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide

2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide (PubChem CID 142676185) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide.

Molecular Properties

Compound Name2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide
PubChem CID142676185
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide
SMILESNC(=O)CCC(C(N)=O)N1C(=O)c2ccc3ccccc3c2C1=O
InChIInChI=1S/C17H15N3O4/c18-13(21)8-7-12(15(19)22)20-16(23)11-6-5-9-3-1-2-4-10(9)14(11)17(20)24/h1-6,12H,7-8H2,(H2,18,21)(H2,19,22)
InChIKeyKFFOKSBRPKWMFE-UHFFFAOYSA-N
XLogP0.56
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(1,3-dioxobenzo[e]isoindol-2-yl)-5-oxopentanoic acid
CID 21250930
propyl 1,3-dioxobenzo[e]isoindole-2-carboxylate
CID 126563331
5-amino-4-[1,3-dioxo-4-(4-phenylmethoxybutoxy)isoindol-2-yl]-5-oxopentanoic acid
CID 175335672
(2S)-5-amino-5-oxo-2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)pentanoic acid
CID 1179782
methyl 1,3-dioxobenzo[e]isoindole-2-carboxylate
CID 126563339
benzo[c]fluoren-7-one
CID 22413
(4E,5Z,7Z)-3-(1,3-dioxobenzo[e]isoindol-2-yl)-8-ethoxy-4-ethylidene-7-methoxyocta-5,7-dienenitrile
CID 143127663
2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide
CID 154862194
2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 69397355
2-cyclopenta-2,4-dien-1-ylbenzo[e]isoindole-1,3-dione
CID 101071135
(4S)-5-amino-4-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 129116520
hexanediamide;naphthalene
CID 175366237

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide?
The IUPAC name of 2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide (CID 142676185) is 2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide.
What is the SMILES notation for 2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide?
The canonical SMILES for 2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide is NC(=O)CCC(C(N)=O)N1C(=O)c2ccc3ccccc3c2C1=O.
What is the InChIKey of 2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide?
The InChIKey is KFFOKSBRPKWMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c18-13(21)8-7-12(15(19)22)20-16(23)11-6-5-9-3-1-2-4-10(9)14(11)17(20)24/h1-6,12H,7-8H2,(H2,18,21)(H2,19,22).
What are the key properties of 2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide?
2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide has a molecular weight of 325.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxobenzo[e]isoindol-2-yl)pentanediamide is sourced from PubChem (CID 142676185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).