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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Related Compounds

N-(2,3-Epoxypropyl)phthalimide
CID 21601
2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)isoindoline-4-carboxamide
CID 20855922
2,2'-(Oxybis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)
CID 247817
2-(Oxolan-2-ylmethyl)isoindole-1,3-dione
CID 2883188
N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 644725
(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid 1-cyclohexylcarbamoyl-ethyl ester
CID 6487552
(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid 1-cyclopentylcarbamoyl-propyl ester
CID 6487553
2-[4-(2,6-dimethyl-4-morpholinyl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
CID 18108378
N,N'-Bis-(tetrahydro-furan-2-ylmethyl)-terephthalamide
CID 551361
5-amino-2-(tetrahydro-2-furanylmethyl)-1H-isoindole-1,3(2H)-dione
CID 2925042
4-[(phenylcarbonyl)amino]tetrahydrothiophen-3-yl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
CID 4563378
2-(4-Phenethylamino-butyl)-isoindole-1,3-dione
CID 14566697

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).