N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C21H29FN2O3 — CID 46110649

IUPACN-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)NC(C)(C)C)N2C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H29FN2O3/c1-14-9-11-21(12-10-14)24(19(26)15-5-7-16(22)8-6-15)17(13-27-21)18(25)23-20(2,3)4/h5-8,14,17H,9-13H2,1-4H3,(H,23,25)
InChIKeyDIKVCFLMXGWPOH-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.49
Rot. Bonds2

About N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 46110649) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID46110649
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC NameN-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)NC(C)(C)C)N2C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H29FN2O3/c1-14-9-11-21(12-10-14)24(19(26)15-5-7-16(22)8-6-15)17(13-27-21)18(25)23-20(2,3)4/h5-8,14,17H,9-13H2,1-4H3,(H,23,25)
InChIKeyDIKVCFLMXGWPOH-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110668
(3S)-4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657837
(3R)-4-(3,5-difluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657947
4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955974
4-(3,5-difluorobenzoyl)-N-(2-methoxyethyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71830358
(3R)-4-(3,5-difluorobenzoyl)-N-(2-methoxyethyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144270
(3S)-N-[(2R)-butan-2-yl]-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144489
[(3S)-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 93019040
N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71830174
8-tert-butyl-4-(3,4-difluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360532
8-tert-butyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360522
(3S)-8-tert-butyl-4-(4-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95658435

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 46110649) is N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CC1CCC2(CC1)OCC(C(=O)NC(C)(C)C)N2C(=O)c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is DIKVCFLMXGWPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-14-9-11-21(12-10-14)24(19(26)15-5-7-16(22)8-6-15)17(13-27-21)18(25)23-20(2,3)4/h5-8,14,17H,9-13H2,1-4H3,(H,23,25).
What are the key properties of N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 46110649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).