2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C15H26N4O4 — CID 26229853

IUPAC2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCN1C(=O)N(CC(N)=O)C(=O)C12CCN([C@@H](C)COC)CC2
InChIInChI=1S/C15H26N4O4/c1-4-19-14(22)18(9-12(16)20)13(21)15(19)5-7-17(8-6-15)11(2)10-23-3/h11H,4-10H2,1-3H3,(H2,16,20)/t11-/m0/s1
InChIKeyBHDTXDDPZLFURU-NSHDSACASA-N
MW326.40 g/mol
LogP-0.37
Rot. Bonds6

About 2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 26229853) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID26229853
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCN1C(=O)N(CC(N)=O)C(=O)C12CCN([C@@H](C)COC)CC2
InChIInChI=1S/C15H26N4O4/c1-4-19-14(22)18(9-12(16)20)13(21)15(19)5-7-17(8-6-15)11(2)10-23-3/h11H,4-10H2,1-3H3,(H2,16,20)/t11-/m0/s1
InChIKeyBHDTXDDPZLFURU-NSHDSACASA-N
XLogP-0.37
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[8-butan-2-yl-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 45163960
8-[(2R)-1-methoxypropan-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26228990
8-[(2R)-butan-2-yl]-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26231274
2-[1-ethyl-8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 26134300
2-[1-ethyl-8-[(9-ethylcarbazol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 26233538
1-ethyl-3-methyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221856
1-[2-(4-methoxyphenyl)ethyl]-8-[(2R)-1-methoxypropan-2-yl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230621
1-[2-(4-methoxyphenyl)ethyl]-8-(1-methoxypropan-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45164431
methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 45161323
2-[1-(3-methylbutyl)-2,4-dioxo-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 26141554
1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143379
8-[(2S)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26220241

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of 2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 26229853) is 2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for 2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for 2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CCN1C(=O)N(CC(N)=O)C(=O)C12CCN([C@@H](C)COC)CC2.
What is the InChIKey of 2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is BHDTXDDPZLFURU-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N4O4/c1-4-19-14(22)18(9-12(16)20)13(21)15(19)5-7-17(8-6-15)11(2)10-23-3/h11H,4-10H2,1-3H3,(H2,16,20)/t11-/m0/s1.
What are the key properties of 2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of -0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-8-[(2S)-1-methoxypropan-2-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 26229853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).