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

C30H41N3O4 — CID 176689410

IUPACN-[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
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NCCCCCCC(=O)Nc1ccc3occ(C4CCC(=O)NC4=O)c3c1)C2
InChIInChI=1S/C30H41N3O4/c1-29(2)19-13-14-30(29,3)25(16-19)31-15-7-5-4-6-8-26(34)32-20-9-11-24-22(17-20)23(18-37-24)21-10-12-27(35)33-28(21)36/h9,11,17-19,21,25,31H,4-8,10,12-16H2,1-3H3,(H,32,34)(H,33,35,36)/t19-,21?,25+,30+/m1/s1
InChIKeySCXJXAZQOHGAHQ-BGLBLJINSA-N
MW507.68 g/mol
LogP5.65
Rot. Bonds10

About 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

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 (PubChem CID 176689410) has the molecular formula C30H41N3O4 and a molecular weight of 507.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID176689410
Molecular FormulaC30H41N3O4
Molecular Weight507.68 g/mol
Exact Mass507.31
IUPAC NameN-[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
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NCCCCCCC(=O)Nc1ccc3occ(C4CCC(=O)NC4=O)c3c1)C2
InChIInChI=1S/C30H41N3O4/c1-29(2)19-13-14-30(29,3)25(16-19)31-15-7-5-4-6-8-26(34)32-20-9-11-24-22(17-20)23(18-37-24)21-10-12-27(35)33-28(21)36/h9,11,17-19,21,25,31H,4-8,10,12-16H2,1-3H3,(H,32,34)(H,33,35,36)/t19-,21?,25+,30+/m1/s1
InChIKeySCXJXAZQOHGAHQ-BGLBLJINSA-N
XLogP5.65
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-7-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]heptanamide
CID 176689423
N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide
CID 176689424
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-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide
CID 176689408
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
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-1-ol
CID 106841082
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
2-[4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]ethyl]piperazin-1-yl]-N-[3-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-5-yl]acetamide
CID 171725626
tert-butyl N-[11-[4-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]anilino]-11-oxoundecyl]carbamate
CID 164817595

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NCCCCCCC(=O)Nc1ccc3occ(C4CCC(=O)NC4=O)c3c1)C2.
What is the InChIKey of 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?
The InChIKey is SCXJXAZQOHGAHQ-BGLBLJINSA-N. The full InChI is InChI=1S/C30H41N3O4/c1-29(2)19-13-14-30(29,3)25(16-19)31-15-7-5-4-6-8-26(34)32-20-9-11-24-22(17-20)23(18-37-24)21-10-12-27(35)33-28(21)36/h9,11,17-19,21,25,31H,4-8,10,12-16H2,1-3H3,(H,32,34)(H,33,35,36)/t19-,21?,25+,30+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 507.68 g/mol, XLogP of 5.65, 10 rotatable bonds, 3 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]-7-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]heptanamide is sourced from PubChem (CID 176689410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).