tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate

C22H34N2O3 — CID 118238217

IUPACtert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate
SMILESCOc1ccc(CNC2CN(C(=O)OC(C)(C)C)CCC23CCCC3)cc1
InChIInChI=1S/C22H34N2O3/c1-21(2,3)27-20(25)24-14-13-22(11-5-6-12-22)19(16-24)23-15-17-7-9-18(26-4)10-8-17/h7-10,19,23H,5-6,11-16H2,1-4H3
InChIKeyRSYUZKNFUVBSRW-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.35
Rot. Bonds4

About tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 118238217) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID118238217
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Nametert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate
SMILESCOc1ccc(CNC2CN(C(=O)OC(C)(C)C)CCC23CCCC3)cc1
InChIInChI=1S/C22H34N2O3/c1-21(2,3)27-20(25)24-14-13-22(11-5-6-12-22)19(16-24)23-15-17-7-9-18(26-4)10-8-17/h7-10,19,23H,5-6,11-16H2,1-4H3
InChIKeyRSYUZKNFUVBSRW-UHFFFAOYSA-N
XLogP4.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4R)-4-(N-ethyl-4-methoxyanilino)-8-azaspiro[4.5]decane-8-carboxylate
CID 175093238
tert-butyl 3-[2-[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]piperidine-1-carboxylate;hydroiodide
CID 111799539
tert-butyl 5-[(4-methoxyphenyl)methylamino]-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 45379692
tert-butyl 2-(4-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 163836171
tert-butyl 6-[(4-methoxyphenyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397872
tert-butyl 3-[2-[(4-methoxyphenyl)methylsulfamoyl]ethyl]azetidine-1-carboxylate
CID 163274974
tert-butyl (3S)-3-[(4-methoxyphenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 97168234
tert-butyl 7-[(4-methoxyphenyl)methyl]-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 129276127
tert-butyl 3-[(4-methylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960869
tert-butyl 4-[6-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carbonyl]-2-methyl-3-oxo-8-azaspiro[4.5]decane-8-carboxylate
CID 178108183
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl 6-[(4-methoxyphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 172639817

Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate (CID 118238217) is tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate is COc1ccc(CNC2CN(C(=O)OC(C)(C)C)CCC23CCCC3)cc1.
What is the InChIKey of tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is RSYUZKNFUVBSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-21(2,3)27-20(25)24-14-13-22(11-5-6-12-22)19(16-24)23-15-17-7-9-18(26-4)10-8-17/h7-10,19,23H,5-6,11-16H2,1-4H3.
What are the key properties of tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 374.53 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 118238217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).