ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid

C68H101N5O11 — CID 54556611

IUPACethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid
SMILESCCOC(=O)C1CC2(CCCCC2)CN1.CCOC(=O)C1CC2(CCCCC2)CN1Cc1ccc(OC)cc1.COc1ccc(CN2CC3(CCCCC3)CC2C(=O)NO)cc1.COc1ccc(CN2CC3(CCCCC3)CC2C(=O)O)cc1
InChIInChI=1S/C20H29NO3.C18H26N2O3.C18H25NO3.C12H21NO2/c1-3-24-19(22)18-13-20(11-5-4-6-12-20)15-21(18)14-16-7-9-17(23-2)10-8-16;1-23-15-7-5-14(6-8-15)12-20-13-18(9-3-2-4-10-18)11-16(20)17(21)19-22;1-22-15-7-5-14(6-8-15)12-19-13-18(9-3-2-4-10-18)11-16(19)17(20)21;1-2-15-11(14)10-8-12(9-13-10)6-4-3-5-7-12/h7-10,18H,3-6,11-15H2,1-2H3;5-8,16,22H,2-4,9-13H2,1H3,(H,19,21);5-8,16H,2-4,9-13H2,1H3,(H,20,21);10,13H,2-9H2,1H3
InChIKeyZNPKVVHVWGBTAE-UHFFFAOYSA-N
MW1164.58 g/mol
LogP11.68
Rot. Bonds15

About ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid

ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 54556611) has the molecular formula C68H101N5O11 and a molecular weight of 1164.58 g/mol. Its IUPAC name is ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Nameethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID54556611
Molecular FormulaC68H101N5O11
Molecular Weight1164.58 g/mol
Exact Mass1163.75
IUPAC Nameethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid
SMILESCCOC(=O)C1CC2(CCCCC2)CN1.CCOC(=O)C1CC2(CCCCC2)CN1Cc1ccc(OC)cc1.COc1ccc(CN2CC3(CCCCC3)CC2C(=O)NO)cc1.COc1ccc(CN2CC3(CCCCC3)CC2C(=O)O)cc1
InChIInChI=1S/C20H29NO3.C18H26N2O3.C18H25NO3.C12H21NO2/c1-3-24-19(22)18-13-20(11-5-4-6-12-20)15-21(18)14-16-7-9-17(23-2)10-8-16;1-23-15-7-5-14(6-8-15)12-20-13-18(9-3-2-4-10-18)11-16(20)17(21)19-22;1-22-15-7-5-14(6-8-15)12-19-13-18(9-3-2-4-10-18)11-16(19)17(20)21;1-2-15-11(14)10-8-12(9-13-10)6-4-3-5-7-12/h7-10,18H,3-6,11-15H2,1-2H3;5-8,16,22H,2-4,9-13H2,1H3,(H,19,21);5-8,16H,2-4,9-13H2,1H3,(H,20,21);10,13H,2-9H2,1H3
InChIKeyZNPKVVHVWGBTAE-UHFFFAOYSA-N
XLogP11.68
TPSA188.67 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001164.58
LogP ≤ 511.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid (CID 54556611) is ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid is CCOC(=O)C1CC2(CCCCC2)CN1.CCOC(=O)C1CC2(CCCCC2)CN1Cc1ccc(OC)cc1.COc1ccc(CN2CC3(CCCCC3)CC2C(=O)NO)cc1.COc1ccc(CN2CC3(CCCCC3)CC2C(=O)O)cc1.
What is the InChIKey of ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is ZNPKVVHVWGBTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3.C18H26N2O3.C18H25NO3.C12H21NO2/c1-3-24-19(22)18-13-20(11-5-4-6-12-20)15-21(18)14-16-7-9-17(23-2)10-8-16;1-23-15-7-5-14(6-8-15)12-20-13-18(9-3-2-4-10-18)11-16(20)17(21)19-22;1-22-15-7-5-14(6-8-15)12-19-13-18(9-3-2-4-10-18)11-16(19)17(20)21;1-2-15-11(14)10-8-12(9-13-10)6-4-3-5-7-12/h7-10,18H,3-6,11-15H2,1-2H3;5-8,16,22H,2-4,9-13H2,1H3,(H,19,21);5-8,16H,2-4,9-13H2,1H3,(H,20,21);10,13H,2-9H2,1H3.
What are the key properties of ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid?
ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 1164.58 g/mol, XLogP of 11.68, 15 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-azaspiro[4.5]decane-3-carboxylate;ethyl 2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylate;N-hydroxy-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxamide;2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 54556611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).