4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide

C18H20N4O3 — CID 4593448

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCCCn1ccnc1
InChIInChI=1S/C18H20N4O3/c23-16(20-8-4-10-21-12-9-19-13-21)7-3-11-22-17(24)14-5-1-2-6-15(14)18(22)25/h1-2,5-6,9,12-13H,3-4,7-8,10-11H2,(H,20,23)
InChIKeyUPOKQNHKNBPTER-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.47
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide (PubChem CID 4593448) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide
PubChem CID4593448
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCCCn1ccnc1
InChIInChI=1S/C18H20N4O3/c23-16(20-8-4-10-21-12-9-19-13-21)7-3-11-22-17(24)14-5-1-2-6-15(14)18(22)25/h1-2,5-6,9,12-13H,3-4,7-8,10-11H2,(H,20,23)
InChIKeyUPOKQNHKNBPTER-UHFFFAOYSA-N
XLogP1.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide (CID 4593448) is 4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCCCn1ccnc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide?
The InChIKey is UPOKQNHKNBPTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-16(20-8-4-10-21-12-9-19-13-21)7-3-11-22-17(24)14-5-1-2-6-15(14)18(22)25/h1-2,5-6,9,12-13H,3-4,7-8,10-11H2,(H,20,23).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide has a molecular weight of 340.38 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide is sourced from PubChem (CID 4593448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).