2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide

C17H29N3O4 — CID 8572080

IUPAC2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C17H29N3O4/c1-12(2)24-10-6-9-18-14(21)11-20-15(22)17(19-16(20)23)8-5-4-7-13(17)3/h12-13H,4-11H2,1-3H3,(H,18,21)(H,19,23)/t13-,17-/m0/s1
InChIKeyIBBUQKFMADDGOO-GUYCJALGSA-N
MW339.44 g/mol
LogP1.42
Rot. Bonds7

About 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 8572080) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID8572080
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C17H29N3O4/c1-12(2)24-10-6-9-18-14(21)11-20-15(22)17(19-16(20)23)8-5-4-7-13(17)3/h12-13H,4-11H2,1-3H3,(H,18,21)(H,19,23)/t13-,17-/m0/s1
InChIKeyIBBUQKFMADDGOO-GUYCJALGSA-N
XLogP1.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9072583
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 51647046
N-(2-aminoethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119384509
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
CID 8521724
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-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
CID 8571975
6-methyl-3-(2-propan-2-yloxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24674265
[2-(butylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11919519
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide
CID 51585025

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 8572080) is 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O.
What is the InChIKey of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is IBBUQKFMADDGOO-GUYCJALGSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-12(2)24-10-6-9-18-14(21)11-20-15(22)17(19-16(20)23)8-5-4-7-13(17)3/h12-13H,4-11H2,1-3H3,(H,18,21)(H,19,23)/t13-,17-/m0/s1.
What are the key properties of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 8572080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).