3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide

C16H22N2O4 — CID 6462760

IUPAC3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)C2CC=CCC2C1=O)NCC1CCCO1
InChIInChI=1S/C16H22N2O4/c19-14(17-10-11-4-3-9-22-11)7-8-18-15(20)12-5-1-2-6-13(12)16(18)21/h1-2,11-13H,3-10H2,(H,17,19)
InChIKeyPFQZYPVEJLRBHM-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.62
Rot. Bonds5

About 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide

3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 6462760) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID6462760
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)C2CC=CCC2C1=O)NCC1CCCO1
InChIInChI=1S/C16H22N2O4/c19-14(17-10-11-4-3-9-22-11)7-8-18-15(20)12-5-1-2-6-13(12)16(18)21/h1-2,11-13H,3-10H2,(H,17,19)
InChIKeyPFQZYPVEJLRBHM-UHFFFAOYSA-N
XLogP0.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide 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 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 6462760) is 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide is O=C(CCN1C(=O)C2CC=CCC2C1=O)NCC1CCCO1.
What is the InChIKey of 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is PFQZYPVEJLRBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-14(17-10-11-4-3-9-22-11)7-8-18-15(20)12-5-1-2-6-13(12)16(18)21/h1-2,11-13H,3-10H2,(H,17,19).
What are the key properties of 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide?
3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 306.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 6462760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).