N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide

C24H24N4O4 — CID 177187974

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide
SMILESO=C1CCC(N2Cc3cc(NC(=O)C4CCc5ccccc5CN4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H24N4O4/c29-21-10-9-20(23(31)27-21)28-13-16-11-17(6-7-18(16)24(28)32)26-22(30)19-8-5-14-3-1-2-4-15(14)12-25-19/h1-4,6-7,11,19-20,25H,5,8-10,12-13H2,(H,26,30)(H,27,29,31)
InChIKeyVVQIYINYEDFOIN-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.49
Rot. Bonds3

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide (PubChem CID 177187974) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide
PubChem CID177187974
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide
SMILESO=C1CCC(N2Cc3cc(NC(=O)C4CCc5ccccc5CN4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H24N4O4/c29-21-10-9-20(23(31)27-21)28-13-16-11-17(6-7-18(16)24(28)32)26-22(30)19-8-5-14-3-1-2-4-15(14)12-25-19/h1-4,6-7,11,19-20,25H,5,8-10,12-13H2,(H,26,30)(H,27,29,31)
InChIKeyVVQIYINYEDFOIN-UHFFFAOYSA-N
XLogP1.49
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylprop-2-enamide
CID 171088427
(2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide
CID 167294309
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]butanoic acid
CID 167462909
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-hydroxy-1H-indole-2-carboxamide
CID 177187886
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamoyl]-1,3,3-trimethylurea
CID 166426847
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenoxybenzamide
CID 171088472
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylmorpholine-4-carboxamide
CID 166426751
2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide
CID 175806262
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 176766770
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(1H-indol-2-yl)acetamide
CID 177188173
(2R)-N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 175968705

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide (CID 177187974) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide is O=C1CCC(N2Cc3cc(NC(=O)C4CCc5ccccc5CN4)ccc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide?
The InChIKey is VVQIYINYEDFOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-21-10-9-20(23(31)27-21)28-13-16-11-17(6-7-18(16)24(28)32)26-22(30)19-8-5-14-3-1-2-4-15(14)12-25-19/h1-4,6-7,11,19-20,25H,5,8-10,12-13H2,(H,26,30)(H,27,29,31).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide is sourced from PubChem (CID 177187974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).