N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide

C26H35N3O5 — CID 176689424

IUPACN-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide
SMILESCC(C)N(C(=O)CCCCCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1)C(C)C
InChIInChI=1S/C26H35N3O5/c1-16(2)29(17(3)4)25(32)9-7-5-6-8-23(30)27-18-10-12-22-20(14-18)21(15-34-22)19-11-13-24(31)28-26(19)33/h10,12,14-17,19H,5-9,11,13H2,1-4H3,(H,27,30)(H,28,31,33)
InChIKeyQFJZJAIUQAMIDR-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.49
Rot. Bonds10

About N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide

N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide (PubChem CID 176689424) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide.

Molecular Properties

Compound NameN-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide
PubChem CID176689424
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC NameN-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide
SMILESCC(C)N(C(=O)CCCCCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1)C(C)C
InChIInChI=1S/C26H35N3O5/c1-16(2)29(17(3)4)25(32)9-7-5-6-8-23(30)27-18-10-12-22-20(14-18)21(15-34-22)19-11-13-24(31)28-26(19)33/h10,12,14-17,19H,5-9,11,13H2,1-4H3,(H,27,30)(H,28,31,33)
InChIKeyQFJZJAIUQAMIDR-UHFFFAOYSA-N
XLogP4.49
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide
CID 176689408
N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-7-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]heptanamide
CID 176689410
3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide
CID 167687873
2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide
CID 167680925
N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide
CID 177117602
tert-butyl N-[1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]carbamate
CID 158099480
3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione
CID 157308807
3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride
CID 170904716
N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide
CID 123383875
3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione
CID 176508886
3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 159098526
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147536967

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide?
The IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide (CID 176689424) is N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide.
What is the SMILES notation for N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide?
The canonical SMILES for N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide is CC(C)N(C(=O)CCCCCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1)C(C)C.
What is the InChIKey of N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide?
The InChIKey is QFJZJAIUQAMIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-16(2)29(17(3)4)25(32)9-7-5-6-8-23(30)27-18-10-12-22-20(14-18)21(15-34-22)19-11-13-24(31)28-26(19)33/h10,12,14-17,19H,5-9,11,13H2,1-4H3,(H,27,30)(H,28,31,33).
What are the key properties of N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide?
N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide has a molecular weight of 469.58 g/mol, XLogP of 4.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide is sourced from PubChem (CID 176689424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).