2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide

C28H36N4O3 — CID 146524592

IUPAC2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
SMILESCc1ccc(NC(C(=O)Nc2ccc3c(c2)NC(=O)C32CCOCC2)C2CCCCCCC2)nc1
InChIInChI=1S/C28H36N4O3/c1-19-9-12-24(29-18-19)32-25(20-7-5-3-2-4-6-8-20)26(33)30-21-10-11-22-23(17-21)31-27(34)28(22)13-15-35-16-14-28/h9-12,17-18,20,25H,2-8,13-16H2,1H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyFELKGZOWAKSPFJ-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.17
Rot. Bonds5

About 2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide

2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide (PubChem CID 146524592) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide.

Molecular Properties

Compound Name2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
PubChem CID146524592
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
SMILESCc1ccc(NC(C(=O)Nc2ccc3c(c2)NC(=O)C32CCOCC2)C2CCCCCCC2)nc1
InChIInChI=1S/C28H36N4O3/c1-19-9-12-24(29-18-19)32-25(20-7-5-3-2-4-6-8-20)26(33)30-21-10-11-22-23(17-21)31-27(34)28(22)13-15-35-16-14-28/h9-12,17-18,20,25H,2-8,13-16H2,1H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyFELKGZOWAKSPFJ-UHFFFAOYSA-N
XLogP5.17
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-cyclohexyl-2-[(5-methyl-1,3-benzoxazol-2-yl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
CID 146524571
2-cyclooctyl-2-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
CID 146524577
ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate
CID 146524632
2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
CID 146524623
N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide
CID 146524617
N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 146524442
1,2-oxazol-5-ylmethyl N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
CID 146524411
1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide
CID 146524452
N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide
CID 142495242
2-[[6-(difluoromethyl)pyridazin-3-yl]amino]-2-(4-methylcyclohexyl)-N-(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)acetamide
CID 146524713
(2S)-2-[[6-(difluoromethyl)pyridazin-3-yl]amino]-2-(4-methylcyclohexyl)-N-(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)acetamide
CID 142495251
3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 146524352

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide?
The IUPAC name of 2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide (CID 146524592) is 2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide.
What is the SMILES notation for 2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide?
The canonical SMILES for 2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide is Cc1ccc(NC(C(=O)Nc2ccc3c(c2)NC(=O)C32CCOCC2)C2CCCCCCC2)nc1.
What is the InChIKey of 2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide?
The InChIKey is FELKGZOWAKSPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-19-9-12-24(29-18-19)32-25(20-7-5-3-2-4-6-8-20)26(33)30-21-10-11-22-23(17-21)31-27(34)28(22)13-15-35-16-14-28/h9-12,17-18,20,25H,2-8,13-16H2,1H3,(H,29,32)(H,30,33)(H,31,34).
What are the key properties of 2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide?
2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide has a molecular weight of 476.62 g/mol, XLogP of 5.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide is sourced from PubChem (CID 146524592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).