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

C17H18N4O3 — CID 3145245

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCCCn1ccnc1
InChIInChI=1S/C17H18N4O3/c22-15(19-7-3-9-20-11-8-18-12-20)6-10-21-16(23)13-4-1-2-5-14(13)17(21)24/h1-2,4-5,8,11-12H,3,6-7,9-10H2,(H,19,22)
InChIKeyULPVGUFCPLYDIK-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.08
Rot. Bonds7

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

3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 3145245) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID3145245
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCCCn1ccnc1
InChIInChI=1S/C17H18N4O3/c22-15(19-7-3-9-20-11-8-18-12-20)6-10-21-16(23)13-4-1-2-5-14(13)17(21)24/h1-2,4-5,8,11-12H,3,6-7,9-10H2,(H,19,22)
InChIKeyULPVGUFCPLYDIK-UHFFFAOYSA-N
XLogP1.08
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.08
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 3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide (CID 3145245) is 3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCCCn1ccnc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is ULPVGUFCPLYDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-15(19-7-3-9-20-11-8-18-12-20)6-10-21-16(23)13-4-1-2-5-14(13)17(21)24/h1-2,4-5,8,11-12H,3,6-7,9-10H2,(H,19,22).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 326.36 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 3145245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).