2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C16H21N3O4 — CID 25162209

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)o1
InChIInChI=1S/C16H21N3O4/c1-11-5-6-12(23-11)9-18(2)13(20)10-19-14(21)16(17-15(19)22)7-3-4-8-16/h5-6H,3-4,7-10H2,1-2H3,(H,17,22)
InChIKeyGTTOVPCDGBLACS-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.41
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 25162209) 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[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID25162209
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)o1
InChIInChI=1S/C16H21N3O4/c1-11-5-6-12(23-11)9-18(2)13(20)10-19-14(21)16(17-15(19)22)7-3-4-8-16/h5-6H,3-4,7-10H2,1-2H3,(H,17,22)
InChIKeyGTTOVPCDGBLACS-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
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[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 25162209) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)o1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is GTTOVPCDGBLACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11-5-6-12(23-11)9-18(2)13(20)10-19-14(21)16(17-15(19)22)7-3-4-8-16/h5-6H,3-4,7-10H2,1-2H3,(H,17,22).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 1.41, 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[4.4]nonan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 25162209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).