2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide

C19H24N4O4 — CID 162700348

IUPAC2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide
SMILESCCCCC(Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(N)=O
InChIInChI=1S/C19H24N4O4/c1-2-3-6-14(17(20)25)21-13-7-4-5-11-12(13)10-23(19(11)27)15-8-9-16(24)22-18(15)26/h4-5,7,14-15,21H,2-3,6,8-10H2,1H3,(H2,20,25)(H,22,24,26)
InChIKeyGRKQFLCXLBACTB-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.90
Rot. Bonds7

About 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide

2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide (PubChem CID 162700348) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide.

Molecular Properties

Compound Name2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide
PubChem CID162700348
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide
SMILESCCCCC(Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(N)=O
InChIInChI=1S/C19H24N4O4/c1-2-3-6-14(17(20)25)21-13-7-4-5-11-12(13)10-23(19(11)27)15-8-9-16(24)22-18(15)26/h4-5,7,14-15,21H,2-3,6,8-10H2,1H3,(H2,20,25)(H,22,24,26)
InChIKeyGRKQFLCXLBACTB-UHFFFAOYSA-N
XLogP0.90
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide with MolForge

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Related Compounds

(3R)-3-[7-[[(1R)-1-[4-(aminomethyl)cyclohexyl]pentyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170701900
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
icosyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 73294184
3-[3-oxo-7-(1-sulfanylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138627200
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]acetamide
CID 154689467
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-octylbenzamide
CID 73293447
3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]propanamide
CID 175732958
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide
CID 142743623
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-N-methylacetamide
CID 171491512
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]formamide;pent-1-yne
CID 156793826

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide?
The IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide (CID 162700348) is 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide.
What is the SMILES notation for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide?
The canonical SMILES for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide is CCCCC(Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(N)=O.
What is the InChIKey of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide?
The InChIKey is GRKQFLCXLBACTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-3-6-14(17(20)25)21-13-7-4-5-11-12(13)10-23(19(11)27)15-8-9-16(24)22-18(15)26/h4-5,7,14-15,21H,2-3,6,8-10H2,1H3,(H2,20,25)(H,22,24,26).
What are the key properties of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide?
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide has a molecular weight of 372.43 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide is sourced from PubChem (CID 162700348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).