N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H32N4O3 — CID 119599497

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C18H32N4O3/c1-13(2)10-17(3,12-19)20-14(23)11-22-15(24)18(21(4)16(22)25)8-6-5-7-9-18/h13H,5-12,19H2,1-4H3,(H,20,23)
InChIKeyBWGAXWMPZLAKJI-UHFFFAOYSA-N
MW352.48 g/mol
LogP1.46
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 119599497) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID119599497
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C18H32N4O3/c1-13(2)10-17(3,12-19)20-14(23)11-22-15(24)18(21(4)16(22)25)8-6-5-7-9-18/h13H,5-12,19H2,1-4H3,(H,20,23)
InChIKeyBWGAXWMPZLAKJI-UHFFFAOYSA-N
XLogP1.46
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119599502
(2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
CID 119361468
N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850189
ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate
CID 7850188
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81486507
N-(1-aminopropan-2-yl)-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119584058
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 56761630
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24647115
N-(4-aminocyclohexyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119477685
N-[1-(4-fluorophenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 42990491
4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid
CID 119352697
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55367108

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 119599497) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC(C)CC(C)(CN)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is BWGAXWMPZLAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-13(2)10-17(3,12-19)20-14(23)11-22-15(24)18(21(4)16(22)25)8-6-5-7-9-18/h13H,5-12,19H2,1-4H3,(H,20,23).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 119599497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).