2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide

C16H18N2O4 — CID 3128939

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O4/c1-10(14(19)17-9-11-5-4-8-22-11)18-15(20)12-6-2-3-7-13(12)16(18)21/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,17,19)
InChIKeyRGYPJMHFLPPUMD-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.97
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide

2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 3128939) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID3128939
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O4/c1-10(14(19)17-9-11-5-4-8-22-11)18-15(20)12-6-2-3-7-13(12)16(18)21/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,17,19)
InChIKeyRGYPJMHFLPPUMD-UHFFFAOYSA-N
XLogP0.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.97
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

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 776917
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
2-[[(2R)-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1281493
(2R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 8872847
trans-(1S,2R)-2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108755781
2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3237476
(2R)-2-[(1R,2S,6S,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 124722386
(2R)-2-[(1S,2R,6S,7S,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 98142855
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538910
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 56728960

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 3128939) is 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is RGYPJMHFLPPUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10(14(19)17-9-11-5-4-8-22-11)18-15(20)12-6-2-3-7-13(12)16(18)21/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,17,19).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 302.33 g/mol, XLogP of 0.97, 4 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-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 3128939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).