2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide

C16H20N2O4 — CID 2228801

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O4/c1-11(2)22-9-5-8-17-14(19)10-18-15(20)12-6-3-4-7-13(12)16(18)21/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)
InChIKeyGFWDTEHVNYWPEA-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.21
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 2228801) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID2228801
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O4/c1-11(2)22-9-5-8-17-14(19)10-18-15(20)12-6-3-4-7-13(12)16(18)21/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)
InChIKeyGFWDTEHVNYWPEA-UHFFFAOYSA-N
XLogP1.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 2228801) is 2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is GFWDTEHVNYWPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11(2)22-9-5-8-17-14(19)10-18-15(20)12-6-3-4-7-13(12)16(18)21/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 2228801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).