2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea

C13H20N4O4 — CID 115949105

IUPAC2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea
SMILESNC(=O)NCCN1C(=O)NC(=O)C2(CCCCCC2)C1=O
InChIInChI=1S/C13H20N4O4/c14-11(20)15-7-8-17-10(19)13(9(18)16-12(17)21)5-3-1-2-4-6-13/h1-8H2,(H3,14,15,20)(H,16,18,21)
InChIKeyDVDOCKVUKUWNMP-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.07
Rot. Bonds3

About 2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea

2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea (PubChem CID 115949105) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea.

Molecular Properties

Compound Name2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea
PubChem CID115949105
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea
SMILESNC(=O)NCCN1C(=O)NC(=O)C2(CCCCCC2)C1=O
InChIInChI=1S/C13H20N4O4/c14-11(20)15-7-8-17-10(19)13(9(18)16-12(17)21)5-3-1-2-4-6-13/h1-8H2,(H3,14,15,20)(H,16,18,21)
InChIKeyDVDOCKVUKUWNMP-UHFFFAOYSA-N
XLogP0.07
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-3-[2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)ethyl]urea
CID 115949102
N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 115947283
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide
CID 106338301
4-prop-2-ynyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112599528
8-(2-pyrrolidin-1-ylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600452
4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 106172217
4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947658
N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 106276993
7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599604
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599614

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea?
The IUPAC name of 2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea (CID 115949105) is 2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea.
What is the SMILES notation for 2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea?
The canonical SMILES for 2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea is NC(=O)NCCN1C(=O)NC(=O)C2(CCCCCC2)C1=O.
What is the InChIKey of 2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea?
The InChIKey is DVDOCKVUKUWNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c14-11(20)15-7-8-17-10(19)13(9(18)16-12(17)21)5-3-1-2-4-6-13/h1-8H2,(H3,14,15,20)(H,16,18,21).
What are the key properties of 2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea?
2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea has a molecular weight of 296.33 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea is sourced from PubChem (CID 115949105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).