ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate

C23H30N2O5 — CID 146524632

IUPACethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate
SMILESCCOC(=O)C(C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCCCC1
InChIInChI=1S/C23H30N2O5/c1-2-30-21(27)19(15-6-4-3-5-7-15)20(26)24-16-8-9-17-18(14-16)25-22(28)23(17)10-12-29-13-11-23/h8-9,14-15,19H,2-7,10-13H2,1H3,(H,24,26)(H,25,28)
InChIKeyMFJYJFHDOHWEEJ-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.38
Rot. Bonds5

About ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate

ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate (PubChem CID 146524632) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate
PubChem CID146524632
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Nameethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate
SMILESCCOC(=O)C(C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCCCC1
InChIInChI=1S/C23H30N2O5/c1-2-30-21(27)19(15-6-4-3-5-7-15)20(26)24-16-8-9-17-18(14-16)25-22(28)23(17)10-12-29-13-11-23/h8-9,14-15,19H,2-7,10-13H2,1H3,(H,24,26)(H,25,28)
InChIKeyMFJYJFHDOHWEEJ-UHFFFAOYSA-N
XLogP3.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate with MolForge

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Related Compounds

2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
CID 146524623
2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
CID 146524592
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
(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
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-[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
2-cyclooctyl-2-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
CID 146524577
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
N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide
CID 134356299
1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
CID 156566980
N-[4-cyclopentyl-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]but-2-en-2-yl]-2-methylpyrazole-3-carboxamide
CID 146576218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate?
The IUPAC name of ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate (CID 146524632) is ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate?
The canonical SMILES for ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate is CCOC(=O)C(C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate?
The InChIKey is MFJYJFHDOHWEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-2-30-21(27)19(15-6-4-3-5-7-15)20(26)24-16-8-9-17-18(14-16)25-22(28)23(17)10-12-29-13-11-23/h8-9,14-15,19H,2-7,10-13H2,1H3,(H,24,26)(H,25,28).
What are the key properties of ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate?
ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate has a molecular weight of 414.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate is sourced from PubChem (CID 146524632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).