1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea

C22H24N6O6 — CID 166427148

IUPAC1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea
SMILESCc1nocc1NC(=O)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C22H24N6O6/c1-12-15(11-34-27-12)25-22(33)24-10-3-2-9-23-14-6-4-5-13-18(14)21(32)28(20(13)31)16-7-8-17(29)26-19(16)30/h4-6,11,16,23H,2-3,7-10H2,1H3,(H2,24,25,33)(H,26,29,30)
InChIKeyQSRKUFZYZPOJAF-UHFFFAOYSA-N
MW468.47 g/mol
LogP1.40
Rot. Bonds8

About 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea

1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea (PubChem CID 166427148) has the molecular formula C22H24N6O6 and a molecular weight of 468.47 g/mol. Its IUPAC name is 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea
PubChem CID166427148
Molecular FormulaC22H24N6O6
Molecular Weight468.47 g/mol
Exact Mass468.18
IUPAC Name1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea
SMILESCc1nocc1NC(=O)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C22H24N6O6/c1-12-15(11-34-27-12)25-22(33)24-10-3-2-9-23-14-6-4-5-13-18(14)21(32)28(20(13)31)16-7-8-17(29)26-19(16)30/h4-6,11,16,23H,2-3,7-10H2,1H3,(H2,24,25,33)(H,26,29,30)
InChIKeyQSRKUFZYZPOJAF-UHFFFAOYSA-N
XLogP1.40
TPSA162.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-pyridin-4-ylurea
CID 166427163
1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(thiadiazol-5-yl)urea
CID 166427137
3-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]propoxy]propylcarbamic acid
CID 166772051
tert-butyl N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]carbamate
CID 138467204
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
2-(2,6-dioxopiperidin-3-yl)-4-(6-oxoheptylamino)isoindole-1,3-dione;ethane
CID 170704031
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
2-cyclopropyl-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-1,3-oxazole-5-carboxamide
CID 166426466
N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-propan-2-yloxyacetamide
CID 134511290
2-(azepan-1-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]acetamide
CID 166426463
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanal;methanol
CID 168902985

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea (CID 166427148) is 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea is Cc1nocc1NC(=O)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
The InChIKey is QSRKUFZYZPOJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O6/c1-12-15(11-34-27-12)25-22(33)24-10-3-2-9-23-14-6-4-5-13-18(14)21(32)28(20(13)31)16-7-8-17(29)26-19(16)30/h4-6,11,16,23H,2-3,7-10H2,1H3,(H2,24,25,33)(H,26,29,30).
What are the key properties of 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea has a molecular weight of 468.47 g/mol, XLogP of 1.40, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-(3-methyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 166427148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).