2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide

C23H23N3O5 — CID 17361782

IUPAC2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NCC3CCCO3)cc2C1=O
InChIInChI=1S/C23H23N3O5/c1-2-26-22(29)16-10-9-14(12-18(16)23(26)30)20(27)25-19-8-4-3-7-17(19)21(28)24-13-15-6-5-11-31-15/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyYCCTXQHUEUTPMW-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.46
Rot. Bonds6

About 2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide

2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide (PubChem CID 17361782) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide
PubChem CID17361782
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NCC3CCCO3)cc2C1=O
InChIInChI=1S/C23H23N3O5/c1-2-26-22(29)16-10-9-14(12-18(16)23(26)30)20(27)25-19-8-4-3-7-17(19)21(28)24-13-15-6-5-11-31-15/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyYCCTXQHUEUTPMW-UHFFFAOYSA-N
XLogP2.46
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carbonyl]amino]benzoic acid
CID 1369615
2-[[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carbonyl]amino]benzoate
CID 6982548
N-(2-methylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362773
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46542044
N-(2-ethoxyphenyl)-1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 1330274
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
3-bromo-4-(oxolan-2-ylmethoxy)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17131771

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide?
The IUPAC name of 2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide (CID 17361782) is 2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide?
The canonical SMILES for 2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide is CCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NCC3CCCO3)cc2C1=O.
What is the InChIKey of 2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide?
The InChIKey is YCCTXQHUEUTPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-2-26-22(29)16-10-9-14(12-18(16)23(26)30)20(27)25-19-8-4-3-7-17(19)21(28)24-13-15-6-5-11-31-15/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide?
2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide is sourced from PubChem (CID 17361782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).