4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide

C17H20N2O4 — CID 2953906

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCC1CCCO1
InChIInChI=1S/C17H20N2O4/c20-15(18-11-12-5-4-10-23-12)8-3-9-19-16(21)13-6-1-2-7-14(13)17(19)22/h1-2,6-7,12H,3-5,8-11H2,(H,18,20)
InChIKeyOWIAXRDCYXHLGB-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.36
Rot. Bonds6

About 4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 2953906) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide
PubChem CID2953906
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCC1CCCO1
InChIInChI=1S/C17H20N2O4/c20-15(18-11-12-5-4-10-23-12)8-3-9-19-16(21)13-6-1-2-7-14(13)17(19)22/h1-2,6-7,12H,3-5,8-11H2,(H,18,20)
InChIKeyOWIAXRDCYXHLGB-UHFFFAOYSA-N
XLogP1.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide (CID 2953906) is 4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCC1CCCO1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is OWIAXRDCYXHLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15(18-11-12-5-4-10-23-12)8-3-9-19-16(21)13-6-1-2-7-14(13)17(19)22/h1-2,6-7,12H,3-5,8-11H2,(H,18,20).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 316.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 2953906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).