3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide

C17H20N2O5 — CID 110359311

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
SMILESCC1(CCNC(=O)CCN2C(=O)c3ccccc3C2=O)OCCO1
InChIInChI=1S/C17H20N2O5/c1-17(23-10-11-24-17)7-8-18-14(20)6-9-19-15(21)12-4-2-3-5-13(12)16(19)22/h2-5H,6-11H2,1H3,(H,18,20)
InChIKeyDMZDKSIPCZOLRF-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.94
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide (PubChem CID 110359311) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
PubChem CID110359311
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
SMILESCC1(CCNC(=O)CCN2C(=O)c3ccccc3C2=O)OCCO1
InChIInChI=1S/C17H20N2O5/c1-17(23-10-11-24-17)7-8-18-14(20)6-9-19-15(21)12-4-2-3-5-13(12)16(19)22/h2-5H,6-11H2,1H3,(H,18,20)
InChIKeyDMZDKSIPCZOLRF-UHFFFAOYSA-N
XLogP0.94
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]butanamide
CID 110369813
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methylbutanamide
CID 108538484
N-[2-(dimethylamino)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide;hydrochloride
CID 126460177
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
3-(1,3-dioxoisoindol-2-yl)-N-[2-(ethylsulfonylamino)ethyl]propanamide
CID 108572140
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
CID 110417982
2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium
CID 8919123
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide
CID 110292740
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide
CID 108540726
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8636592

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide (CID 110359311) is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide is CC1(CCNC(=O)CCN2C(=O)c3ccccc3C2=O)OCCO1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide?
The InChIKey is DMZDKSIPCZOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-17(23-10-11-24-17)7-8-18-14(20)6-9-19-15(21)12-4-2-3-5-13(12)16(19)22/h2-5H,6-11H2,1H3,(H,18,20).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide has a molecular weight of 332.36 g/mol, XLogP of 0.94, 6 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-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 110359311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).