(2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide

C18H20N2O5 — CID 9324664

IUPAC(2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)[C@H]1CCCO1
InChIInChI=1S/C18H20N2O5/c21-16(15-4-2-8-25-15)19-11-5-6-13-14(9-11)18(23)20(17(13)22)10-12-3-1-7-24-12/h5-6,9,12,15H,1-4,7-8,10H2,(H,19,21)/t12-,15-/m1/s1
InChIKeyRTJPOJRRQZVGDY-IUODEOHRSA-N
MW344.37 g/mol
LogP1.58
Rot. Bonds4

About (2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide

(2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide (PubChem CID 9324664) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide
PubChem CID9324664
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)[C@H]1CCCO1
InChIInChI=1S/C18H20N2O5/c21-16(15-4-2-8-25-15)19-11-5-6-13-14(9-11)18(23)20(17(13)22)10-12-3-1-7-24-12/h5-6,9,12,15H,1-4,7-8,10H2,(H,19,21)/t12-,15-/m1/s1
InChIKeyRTJPOJRRQZVGDY-IUODEOHRSA-N
XLogP1.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.58
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

N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362324
3-chloro-N-[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindol-5-yl]propanamide
CID 40869687
(E)-4-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]amino]-4-oxobut-2-enoic acid
CID 17362362
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide
CID 2976308
3-cyclohexyl-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]propanamide
CID 17362217
5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide
CID 17296711
N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]-4-(propanoylamino)benzamide
CID 2221820
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362321
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenoxyacetamide
CID 2936153
2-benzylsulfanyl-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]acetamide
CID 17362294
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-phenylethylsulfanyl)acetamide
CID 17362378
1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide (CID 9324664) is (2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide?
The InChIKey is RTJPOJRRQZVGDY-IUODEOHRSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-16(15-4-2-8-25-15)19-11-5-6-13-14(9-11)18(23)20(17(13)22)10-12-3-1-7-24-12/h5-6,9,12,15H,1-4,7-8,10H2,(H,19,21)/t12-,15-/m1/s1.
What are the key properties of (2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide?
(2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide is sourced from PubChem (CID 9324664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).