2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide

C14H19N3O3 — CID 27927864

IUPAC2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C14H19N3O3/c1-3-8-15-11(18)9-17-12(19)14(16-13(17)20)7-5-4-6-10(14)2/h1,10H,4-9H2,2H3,(H,15,18)(H,16,20)/t10-,14-/m1/s1
InChIKeyGDOOABJTEZVQSO-QMTHXVAHSA-N
MW277.32 g/mol
LogP0.24
Rot. Bonds3

About 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide

2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide (PubChem CID 27927864) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide
PubChem CID27927864
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C14H19N3O3/c1-3-8-15-11(18)9-17-12(19)14(16-13(17)20)7-5-4-6-10(14)2/h1,10H,4-9H2,2H3,(H,15,18)(H,16,20)/t10-,14-/m1/s1
InChIKeyGDOOABJTEZVQSO-QMTHXVAHSA-N
XLogP0.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
N-(2-aminoethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119384509
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 25444061
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
N-cyclohexyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2681010
N-carbamoyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703407
N-methoxy-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46565248
N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 25397724
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119513291
N-[(2-chlorophenyl)methyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2530641

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide (CID 27927864) is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide is C#CCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O.
What is the InChIKey of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide?
The InChIKey is GDOOABJTEZVQSO-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-8-15-11(18)9-17-12(19)14(16-13(17)20)7-5-4-6-10(14)2/h1,10H,4-9H2,2H3,(H,15,18)(H,16,20)/t10-,14-/m1/s1.
What are the key properties of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide?
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide has a molecular weight of 277.32 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 27927864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).