benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate

C26H29N3O6 — CID 156512176

IUPACbenzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate
SMILESO=C1CCC(N2Cc3cc(OCCCCCNC(=O)OCc4ccccc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H29N3O6/c30-23-12-11-22(24(31)28-23)29-16-19-15-20(9-10-21(19)25(29)32)34-14-6-2-5-13-27-26(33)35-17-18-7-3-1-4-8-18/h1,3-4,7-10,15,22H,2,5-6,11-14,16-17H2,(H,27,33)(H,28,30,31)
InChIKeyFYJHBMMVVNMITC-UHFFFAOYSA-N
MW479.53 g/mol
LogP2.92
Rot. Bonds10

About benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate

benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate (PubChem CID 156512176) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate
PubChem CID156512176
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Namebenzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate
SMILESO=C1CCC(N2Cc3cc(OCCCCCNC(=O)OCc4ccccc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H29N3O6/c30-23-12-11-22(24(31)28-23)29-16-19-15-20(9-10-21(19)25(29)32)34-14-6-2-5-13-27-26(33)35-17-18-7-3-1-4-8-18/h1,3-4,7-10,15,22H,2,5-6,11-14,16-17H2,(H,27,33)(H,28,30,31)
InChIKeyFYJHBMMVVNMITC-UHFFFAOYSA-N
XLogP2.92
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate with MolForge

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Related Compounds

N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 156792030
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-3-methylbutanamide
CID 174200047
tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]carbamate
CID 176938730
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 156792089
3-[6-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165380108
tert-butyl N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]heptyl]carbamate
CID 175891825
3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166855298
3-[6-[6-[(1-cyclohexylpyrazol-4-yl)methylamino]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156792048
3-[3-oxo-6-[(1S,2R)-2-(3-phenylmethoxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 149285797
3-[3-oxo-6-(2-piperidin-1-ylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166875832
5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]pentanoic acid
CID 166425957
ethane;3-[6-[4-(methylamino)butoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-methylpropyl formate
CID 171072812

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate?
The IUPAC name of benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate (CID 156512176) is benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate.
What is the SMILES notation for benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate?
The canonical SMILES for benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate is O=C1CCC(N2Cc3cc(OCCCCCNC(=O)OCc4ccccc4)ccc3C2=O)C(=O)N1.
What is the InChIKey of benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate?
The InChIKey is FYJHBMMVVNMITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c30-23-12-11-22(24(31)28-23)29-16-19-15-20(9-10-21(19)25(29)32)34-14-6-2-5-13-27-26(33)35-17-18-7-3-1-4-8-18/h1,3-4,7-10,15,22H,2,5-6,11-14,16-17H2,(H,27,33)(H,28,30,31).
What are the key properties of benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate?
benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate has a molecular weight of 479.53 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate is sourced from PubChem (CID 156512176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).