N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide

C14H21N3O4 — CID 106276993

IUPACN,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
SMILESCNC(=O)C(C)(C)CN1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-13(2,9(18)15-3)8-17-11(20)14(6-4-5-7-14)10(19)16-12(17)21/h4-8H2,1-3H3,(H,15,18)(H,16,19,21)
InChIKeyAMNTWKOAVGPFRW-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.40
Rot. Bonds3

About N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide

N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide (PubChem CID 106276993) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
PubChem CID106276993
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
SMILESCNC(=O)C(C)(C)CN1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-13(2,9(18)15-3)8-17-11(20)14(6-4-5-7-14)10(19)16-12(17)21/h4-8H2,1-3H3,(H,15,18)(H,16,19,21)
InChIKeyAMNTWKOAVGPFRW-UHFFFAOYSA-N
XLogP0.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(2,3,3-trimethylbutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115949090
N,N-dimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 115947283
2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea
CID 115949105
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
1,1-dimethyl-3-[2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)ethyl]urea
CID 115949102
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
4-prop-2-ynyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112599528
9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599987
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600986
N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide
CID 106338301
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599614

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide (CID 106276993) is N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide is CNC(=O)C(C)(C)CN1C(=O)NC(=O)C2(CCCC2)C1=O.
What is the InChIKey of N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide?
The InChIKey is AMNTWKOAVGPFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-13(2,9(18)15-3)8-17-11(20)14(6-4-5-7-14)10(19)16-12(17)21/h4-8H2,1-3H3,(H,15,18)(H,16,19,21).
What are the key properties of N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide?
N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(6,8,10-trioxo-7,9-diazaspiro[4.5]decan-9-yl)propanamide is sourced from PubChem (CID 106276993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).