N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide

C21H26F2N2O2 — CID 131691194

IUPACN-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESO=C(NC1CCC2(CCC(=O)N2Cc2ccccc2)CC1)C1CC(F)(F)C1
InChIInChI=1S/C21H26F2N2O2/c22-21(23)12-16(13-21)19(27)24-17-6-9-20(10-7-17)11-8-18(26)25(20)14-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2,(H,24,27)
InChIKeyOOPBQOQJCQTALZ-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.65
Rot. Bonds4

About N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide

N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 131691194) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID131691194
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC NameN-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESO=C(NC1CCC2(CCC(=O)N2Cc2ccccc2)CC1)C1CC(F)(F)C1
InChIInChI=1S/C21H26F2N2O2/c22-21(23)12-16(13-21)19(27)24-17-6-9-20(10-7-17)11-8-18(26)25(20)14-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2,(H,24,27)
InChIKeyOOPBQOQJCQTALZ-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide with MolForge

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Related Compounds

[1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97397475
8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131691598
1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97494267
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
1-benzyl-3-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97494227
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-8-(2-hydroxyethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155862188
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide (CID 131691194) is N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide is O=C(NC1CCC2(CCC(=O)N2Cc2ccccc2)CC1)C1CC(F)(F)C1.
What is the InChIKey of N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is OOPBQOQJCQTALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c22-21(23)12-16(13-21)19(27)24-17-6-9-20(10-7-17)11-8-18(26)25(20)14-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2,(H,24,27).
What are the key properties of N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide?
N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 131691194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).