2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide

C16H21N3O4 — CID 4785701

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H21N3O4/c1-18(10-12-6-5-9-23-12)13(20)11-19-14(21)16(17-15(19)22)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,22)
InChIKeyVEGPBGIVEUCBBO-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.49
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 4785701) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID4785701
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H21N3O4/c1-18(10-12-6-5-9-23-12)13(20)11-19-14(21)16(17-15(19)22)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,22)
InChIKeyVEGPBGIVEUCBBO-UHFFFAOYSA-N
XLogP1.49
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide (CID 4785701) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is VEGPBGIVEUCBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-18(10-12-6-5-9-23-12)13(20)11-19-14(21)16(17-15(19)22)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,22).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 319.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 4785701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).