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

C24H33N3O6 — CID 146524623

IUPAC2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
SMILESCOCCOC(=O)N[C@H](C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCCCC1
InChIInChI=1S/C24H33N3O6/c1-31-13-14-33-23(30)27-20(16-5-3-2-4-6-16)21(28)25-17-7-8-18-19(15-17)26-22(29)24(18)9-11-32-12-10-24/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,25,28)(H,26,29)(H,27,30)/t20-/m0/s1
InChIKeyWMPWINBZBVRBPG-FQEVSTJZSA-N
MW459.54 g/mol
LogP2.95
Rot. Bonds7

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

2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate (PubChem CID 146524623) has the molecular formula C24H33N3O6 and a molecular weight of 459.54 g/mol. Its IUPAC name is 2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
PubChem CID146524623
Molecular FormulaC24H33N3O6
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC Name2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
SMILESCOCCOC(=O)N[C@H](C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCCCC1
InChIInChI=1S/C24H33N3O6/c1-31-13-14-33-23(30)27-20(16-5-3-2-4-6-16)21(28)25-17-7-8-18-19(15-17)26-22(29)24(18)9-11-32-12-10-24/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,25,28)(H,26,29)(H,27,30)/t20-/m0/s1
InChIKeyWMPWINBZBVRBPG-FQEVSTJZSA-N
XLogP2.95
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate
CID 146524632
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
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
2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
CID 146524592
(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
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
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
2-cyclooctyl-2-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
CID 146524577
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
N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide
CID 134356299
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 2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate (CID 146524623) is 2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate is COCCOC(=O)N[C@H](C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCCCC1.
What is the InChIKey of 2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate?
The InChIKey is WMPWINBZBVRBPG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N3O6/c1-31-13-14-33-23(30)27-20(16-5-3-2-4-6-16)21(28)25-17-7-8-18-19(15-17)26-22(29)24(18)9-11-32-12-10-24/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,25,28)(H,26,29)(H,27,30)/t20-/m0/s1.
What are the key properties of 2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate?
2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate has a molecular weight of 459.54 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate is sourced from PubChem (CID 146524623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).