methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C20H27ClN2O5 — CID 71687335

IUPACmethyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOCCON1C(=O)CC(C(=O)OC)C12CCN(Cc1ccccc1Cl)CC2
InChIInChI=1S/C20H27ClN2O5/c1-26-11-12-28-23-18(24)13-16(19(25)27-2)20(23)7-9-22(10-8-20)14-15-5-3-4-6-17(15)21/h3-6,16H,7-14H2,1-2H3
InChIKeyISHWJUBAEYIALQ-UHFFFAOYSA-N
MW410.90 g/mol
LogP2.27
Rot. Bonds7

About methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 71687335) has the molecular formula C20H27ClN2O5 and a molecular weight of 410.90 g/mol. Its IUPAC name is methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID71687335
Molecular FormulaC20H27ClN2O5
Molecular Weight410.90 g/mol
Exact Mass410.16
IUPAC Namemethyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOCCON1C(=O)CC(C(=O)OC)C12CCN(Cc1ccccc1Cl)CC2
InChIInChI=1S/C20H27ClN2O5/c1-26-11-12-28-23-18(24)13-16(19(25)27-2)20(23)7-9-22(10-8-20)14-15-5-3-4-6-17(15)21/h3-6,16H,7-14H2,1-2H3
InChIKeyISHWJUBAEYIALQ-UHFFFAOYSA-N
XLogP2.27
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Related Compounds

methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95715065
methyl 8-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687288
methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56852741
methyl 8-(1H-indol-3-ylmethyl)-1-(3-methylbutoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687270
methyl (4R)-8-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95707391
methyl 2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687351
methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95708997
methyl 1-ethoxy-2-oxo-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56852137
methyl (4S)-2-oxo-1-prop-2-enoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95724910
methyl 1-(2-methoxyethoxy)-2-oxo-8-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56852008
methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687356
methyl (4R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95718249

Frequently Asked Questions

What is the IUPAC name of methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 71687335) is methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is COCCON1C(=O)CC(C(=O)OC)C12CCN(Cc1ccccc1Cl)CC2.
What is the InChIKey of methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is ISHWJUBAEYIALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O5/c1-26-11-12-28-23-18(24)13-16(19(25)27-2)20(23)7-9-22(10-8-20)14-15-5-3-4-6-17(15)21/h3-6,16H,7-14H2,1-2H3.
What are the key properties of methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 410.90 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 71687335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).