ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate

C14H21N3O5 — CID 7850188

IUPACethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C14H21N3O5/c1-3-22-12(20)15-10(18)9-17-11(19)14(16(2)13(17)21)7-5-4-6-8-14/h3-9H2,1-2H3,(H,15,18,20)
InChIKeyNPRRXBBWQKXSGV-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.86
Rot. Bonds3

About ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate

ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate (PubChem CID 7850188) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate
PubChem CID7850188
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Nameethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C14H21N3O5/c1-3-22-12(20)15-10(18)9-17-11(19)14(16(2)13(17)21)7-5-4-6-8-14/h3-9H2,1-2H3,(H,15,18,20)
InChIKeyNPRRXBBWQKXSGV-UHFFFAOYSA-N
XLogP0.86
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate?
The IUPAC name of ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate (CID 7850188) is ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate?
The canonical SMILES for ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate is CCOC(=O)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O.
What is the InChIKey of ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate?
The InChIKey is NPRRXBBWQKXSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-3-22-12(20)15-10(18)9-17-11(19)14(16(2)13(17)21)7-5-4-6-8-14/h3-9H2,1-2H3,(H,15,18,20).
What are the key properties of ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate?
ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate has a molecular weight of 311.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate is sourced from PubChem (CID 7850188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).