2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide

C20H29N3O4 — CID 55856105

IUPAC2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1ccc(CN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C(C)C)o1
InChIInChI=1S/C20H29N3O4/c1-14(2)22(12-16-9-8-15(3)27-16)17(24)13-23-18(25)20(21(4)19(23)26)10-6-5-7-11-20/h8-9,14H,5-7,10-13H2,1-4H3
InChIKeyMAQIZQNHOGPCGS-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.92
Rot. Bonds5

About 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 55856105) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
PubChem CID55856105
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1ccc(CN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C(C)C)o1
InChIInChI=1S/C20H29N3O4/c1-14(2)22(12-16-9-8-15(3)27-16)17(24)13-23-18(25)20(21(4)19(23)26)10-6-5-7-11-20/h8-9,14H,5-7,10-13H2,1-4H3
InChIKeyMAQIZQNHOGPCGS-UHFFFAOYSA-N
XLogP2.92
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
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-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide (CID 55856105) is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide is Cc1ccc(CN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C(C)C)o1.
What is the InChIKey of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is MAQIZQNHOGPCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14(2)22(12-16-9-8-15(3)27-16)17(24)13-23-18(25)20(21(4)19(23)26)10-6-5-7-11-20/h8-9,14H,5-7,10-13H2,1-4H3.
What are the key properties of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide?
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 375.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 55856105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).