tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate

C22H32N2O4 — CID 67171905

IUPACtert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
SMILESCOc1ccc(CN2CCC3(CCC[C@H](NC(=O)OC(C)(C)C)C3)C2=O)cc1
InChIInChI=1S/C22H32N2O4/c1-21(2,3)28-20(26)23-17-6-5-11-22(14-17)12-13-24(19(22)25)15-16-7-9-18(27-4)10-8-16/h7-10,17H,5-6,11-15H2,1-4H3,(H,23,26)/t17-,22?/m0/s1
InChIKeyMPDCZNCVRYDMON-LBOXEOMUSA-N
MW388.51 g/mol
LogP3.88
Rot. Bonds4

About tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate

tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate (PubChem CID 67171905) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
PubChem CID67171905
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Nametert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
SMILESCOc1ccc(CN2CCC3(CCC[C@H](NC(=O)OC(C)(C)C)C3)C2=O)cc1
InChIInChI=1S/C22H32N2O4/c1-21(2,3)28-20(26)23-17-6-5-11-22(14-17)12-13-24(19(22)25)15-16-7-9-18(27-4)10-8-16/h7-10,17H,5-6,11-15H2,1-4H3,(H,23,26)/t17-,22?/m0/s1
InChIKeyMPDCZNCVRYDMON-LBOXEOMUSA-N
XLogP3.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(4-methoxyphenyl)methyl]-6-oxopiperidin-3-yl]carbamate;tert-butyl N-[1-[(4-methoxyphenyl)methyl]-6-sulfanylidenepiperidin-3-yl]carbamate
CID 159316306
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 53256445
tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 171080628
[(3S,4S)-3-[[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-4-phenylpyrrolidin-1-yl] N-cyclopentylcarbamate
CID 67369275
tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
CID 67108890
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122
2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131652331
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl 3-[[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-4-phenylpyrrolidine-1-carboxylate
CID 67371862
tert-butyl N-[(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 90686359
tert-butyl N-[(3S)-1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]carbamate
CID 97168181
[1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate
CID 148872501

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate?
The IUPAC name of tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate (CID 67171905) is tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate is COc1ccc(CN2CCC3(CCC[C@H](NC(=O)OC(C)(C)C)C3)C2=O)cc1.
What is the InChIKey of tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate?
The InChIKey is MPDCZNCVRYDMON-LBOXEOMUSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-21(2,3)28-20(26)23-17-6-5-11-22(14-17)12-13-24(19(22)25)15-16-7-9-18(27-4)10-8-16/h7-10,17H,5-6,11-15H2,1-4H3,(H,23,26)/t17-,22?/m0/s1.
What are the key properties of tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate?
tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate has a molecular weight of 388.51 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate is sourced from PubChem (CID 67171905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).