2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide

C14H26N4O2 — CID 102850280

IUPAC2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H26N4O2/c1-11(12(19)17-13(20)15-2)18-8-4-6-14(10-18)5-3-7-16-9-14/h11,16H,3-10H2,1-2H3,(H2,15,17,19,20)
InChIKeyJEXBHFMHULSZDP-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.30
Rot. Bonds2

About 2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide

2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide (PubChem CID 102850280) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide
PubChem CID102850280
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H26N4O2/c1-11(12(19)17-13(20)15-2)18-8-4-6-14(10-18)5-3-7-16-9-14/h11,16H,3-10H2,1-2H3,(H2,15,17,19,20)
InChIKeyJEXBHFMHULSZDP-UHFFFAOYSA-N
XLogP0.30
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 102850283
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 102850231
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984299
ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate
CID 102850302
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
CID 91642695
(2R)-N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
CID 99122935
(2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(methylcarbamoyl)propanamide
CID 35425676
methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate
CID 102850257
2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 63761122
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide
CID 60917515

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide (CID 102850280) is 2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide?
The InChIKey is JEXBHFMHULSZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(12(19)17-13(20)15-2)18-8-4-6-14(10-18)5-3-7-16-9-14/h11,16H,3-10H2,1-2H3,(H2,15,17,19,20).
What are the key properties of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide?
2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 102850280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).