2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide

C16H23N3O3 — CID 97493598

IUPAC2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C16H23N3O3/c1-17-14(20)12-19-8-3-5-16(19)6-9-18(10-7-16)15(21)13-4-2-11-22-13/h2,4,11H,3,5-10,12H2,1H3,(H,17,20)
InChIKeyLGCLZEUOJLCCSU-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.10
Rot. Bonds3

About 2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide

2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide (PubChem CID 97493598) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
PubChem CID97493598
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C16H23N3O3/c1-17-14(20)12-19-8-3-5-16(19)6-9-18(10-7-16)15(21)13-4-2-11-22-13/h2,4,11H,3,5-10,12H2,1H3,(H,17,20)
InChIKeyLGCLZEUOJLCCSU-UHFFFAOYSA-N
XLogP1.10
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493640
2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 131659016
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-methylacetamide
CID 119130465
azepan-1-yl(furan-2-yl)methanone
CID 5200992
(5S,9S)-2-(furan-2-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896788
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
CID 118741004
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641

Frequently Asked Questions

What is the IUPAC name of 2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The IUPAC name of 2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide (CID 97493598) is 2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide is CNC(=O)CN1CCCC12CCN(C(=O)c1ccco1)CC2.
What is the InChIKey of 2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
The InChIKey is LGCLZEUOJLCCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-17-14(20)12-19-8-3-5-16(19)6-9-18(10-7-16)15(21)13-4-2-11-22-13/h2,4,11H,3,5-10,12H2,1H3,(H,17,20).
What are the key properties of 2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide?
2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide has a molecular weight of 305.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide is sourced from PubChem (CID 97493598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).