ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate

C12H19N3O4 — CID 143344007

IUPACethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate
SMILESCCOC(=O)NCC1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C12H19N3O4/c1-2-19-11(18)13-7-8-3-5-12(6-4-8)9(16)14-10(17)15-12/h8H,2-7H2,1H3,(H,13,18)(H2,14,15,16,17)
InChIKeyVIIBLJXMOBVDFQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.50
Rot. Bonds3

About ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate

ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate (PubChem CID 143344007) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate
PubChem CID143344007
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nameethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate
SMILESCCOC(=O)NCC1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C12H19N3O4/c1-2-19-11(18)13-7-8-3-5-12(6-4-8)9(16)14-10(17)15-12/h8H,2-7H2,1H3,(H,13,18)(H2,14,15,16,17)
InChIKeyVIIBLJXMOBVDFQ-UHFFFAOYSA-N
XLogP0.50
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen
CID 144717784
ethyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate
CID 3091624
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate
CID 134431901
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate
CID 72810380
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
CID 82996588
ethyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046471
8-(2-amino-3-methylpentanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963359
8-amino-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118281748
tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566495

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate?
The IUPAC name of ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate (CID 143344007) is ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate is CCOC(=O)NCC1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate?
The InChIKey is VIIBLJXMOBVDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-19-11(18)13-7-8-3-5-12(6-4-8)9(16)14-10(17)15-12/h8H,2-7H2,1H3,(H,13,18)(H2,14,15,16,17).
What are the key properties of ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate?
ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate has a molecular weight of 269.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate is sourced from PubChem (CID 143344007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).