N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide

C11H18N4O3 — CID 78996102

IUPACN,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
SMILESCCN(CC)C(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C11H18N4O3/c1-3-14(4-2)10(18)15-6-5-11(7-15)8(16)12-9(17)13-11/h3-7H2,1-2H3,(H2,12,13,16,17)
InChIKeySVNXPAUSXZOZSH-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.27
Rot. Bonds2

About N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide

N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide (PubChem CID 78996102) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
PubChem CID78996102
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
SMILESCCN(CC)C(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C11H18N4O3/c1-3-14(4-2)10(18)15-6-5-11(7-15)8(16)12-9(17)13-11/h3-7H2,1-2H3,(H2,12,13,16,17)
InChIKeySVNXPAUSXZOZSH-UHFFFAOYSA-N
XLogP-0.27
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide
CID 82098540
7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234
7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995995
7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 103894152
7-(2-cyclopentylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996213
7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 113239192
7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 112692300
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 98767916
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 103908737

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide (CID 78996102) is N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide is CCN(CC)C(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is SVNXPAUSXZOZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-14(4-2)10(18)15-6-5-11(7-15)8(16)12-9(17)13-11/h3-7H2,1-2H3,(H2,12,13,16,17).
What are the key properties of N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 78996102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).