2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide

C20H28N2O4 — CID 84572767

IUPAC2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H28N2O4/c1-5-11-21(12-6-2)17(23)13-26-14-20(3,4)22-18(24)15-9-7-8-10-16(15)19(22)25/h7-10H,5-6,11-14H2,1-4H3
InChIKeyAVYRXNRZDNLCKC-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.73
Rot. Bonds9

About 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide

2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide (PubChem CID 84572767) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide
PubChem CID84572767
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H28N2O4/c1-5-11-21(12-6-2)17(23)13-26-14-20(3,4)22-18(24)15-9-7-8-10-16(15)19(22)25/h7-10H,5-6,11-14H2,1-4H3
InChIKeyAVYRXNRZDNLCKC-UHFFFAOYSA-N
XLogP2.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide (CID 84572767) is 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide is CCCN(CCC)C(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide?
The InChIKey is AVYRXNRZDNLCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-5-11-21(12-6-2)17(23)13-26-14-20(3,4)22-18(24)15-9-7-8-10-16(15)19(22)25/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide?
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide has a molecular weight of 360.45 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide is sourced from PubChem (CID 84572767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).