N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

C26H25N3O6 — CID 17362321

IUPACN-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(CC3CCCO3)C4=O)cc2C1=O
InChIInChI=1S/C26H25N3O6/c1-14(2)12-28-23(31)18-7-5-15(10-20(18)25(28)33)22(30)27-16-6-8-19-21(11-16)26(34)29(24(19)32)13-17-4-3-9-35-17/h5-8,10-11,14,17H,3-4,9,12-13H2,1-2H3,(H,27,30)
InChIKeyRXXVNFOHCXCAHM-UHFFFAOYSA-N
MW475.50 g/mol
LogP2.97
Rot. Bonds6

About N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17362321) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID17362321
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC NameN-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(CC3CCCO3)C4=O)cc2C1=O
InChIInChI=1S/C26H25N3O6/c1-14(2)12-28-23(31)18-7-5-15(10-20(18)25(28)33)22(30)27-16-6-8-19-21(11-16)26(34)29(24(19)32)13-17-4-3-9-35-17/h5-8,10-11,14,17H,3-4,9,12-13H2,1-2H3,(H,27,30)
InChIKeyRXXVNFOHCXCAHM-UHFFFAOYSA-N
XLogP2.97
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
N-[4-(2-methylpropylcarbamoyl)phenyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362630
N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]-4-(propanoylamino)benzamide
CID 2221820
N-(3,5-dimethylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 43002002
N-(3-acetamido-4-fluorophenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55531666
N-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362546
N-(2-methylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362773
(2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide
CID 9324664
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide
CID 2976308
N-[(2S)-1-aminopropan-2-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide;hydrochloride
CID 120506827
5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide
CID 17296711
3-[[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindol-5-yl]carbamoyl]-2-methylbenzoate
CID 9325606

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (CID 17362321) is N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(CC3CCCO3)C4=O)cc2C1=O.
What is the InChIKey of N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is RXXVNFOHCXCAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-14(2)12-28-23(31)18-7-5-15(10-20(18)25(28)33)22(30)27-16-6-8-19-21(11-16)26(34)29(24(19)32)13-17-4-3-9-35-17/h5-8,10-11,14,17H,3-4,9,12-13H2,1-2H3,(H,27,30).
What are the key properties of N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17362321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).