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

C28H42N4O3 — CID 176689423

IUPACN-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-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)Nc1ccc(NC3CCC(=O)NC3=O)cc1)C2
InChIInChI=1S/C28H42N4O3/c1-27(2)19-15-16-28(27,3)23(18-19)29-17-7-5-4-6-8-24(33)31-21-11-9-20(10-12-21)30-22-13-14-25(34)32-26(22)35/h9-12,19,22-23,29-30H,4-8,13-18H2,1-3H3,(H,31,33)(H,32,34,35)/t19-,22?,23+,28+/m1/s1
InChIKeyVOGARQVLNLXSGY-MLJJYQGJSA-N
MW482.67 g/mol
LogP4.60
Rot. Bonds11

About 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

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 (PubChem CID 176689423) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-7-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]heptanamide
PubChem CID176689423
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC NameN-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-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)Nc1ccc(NC3CCC(=O)NC3=O)cc1)C2
InChIInChI=1S/C28H42N4O3/c1-27(2)19-15-16-28(27,3)23(18-19)29-17-7-5-4-6-8-24(33)31-21-11-9-20(10-12-21)30-22-13-14-25(34)32-26(22)35/h9-12,19,22-23,29-30H,4-8,13-18H2,1-3H3,(H,31,33)(H,32,34,35)/t19-,22?,23+,28+/m1/s1
InChIKeyVOGARQVLNLXSGY-MLJJYQGJSA-N
XLogP4.60
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 54.60
H-Bond Donors ≤ 54
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-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-7-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]heptanamide with MolForge

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Related Compounds

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
tert-butyl N-[11-[4-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]anilino]-11-oxoundecyl]carbamate
CID 164817595
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-1-ol
CID 106841082
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
1-(4-methylphenyl)-3-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 100845970
3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472103
ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472102
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
ethyl 3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
CID 98076218
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide
CID 23308718
1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171577098

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NCCCCCCC(=O)Nc1ccc(NC3CCC(=O)NC3=O)cc1)C2.
What is the InChIKey of 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?
The InChIKey is VOGARQVLNLXSGY-MLJJYQGJSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-27(2)19-15-16-28(27,3)23(18-19)29-17-7-5-4-6-8-24(33)31-21-11-9-20(10-12-21)30-22-13-14-25(34)32-26(22)35/h9-12,19,22-23,29-30H,4-8,13-18H2,1-3H3,(H,31,33)(H,32,34,35)/t19-,22?,23+,28+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 482.67 g/mol, XLogP of 4.60, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176689423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).