N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C17H24N4O4 — CID 18099792

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N(C)C2(C#N)CCCCC2)C1=O
InChIInChI=1S/C17H24N4O4/c1-12(2)9-20-14(23)15(24)21(16(20)25)10-13(22)19(3)17(11-18)7-5-4-6-8-17/h12H,4-10H2,1-3H3
InChIKeyYAWKWBMMVRPNMY-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.12
Rot. Bonds5

About N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 18099792) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID18099792
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N(C)C2(C#N)CCCCC2)C1=O
InChIInChI=1S/C17H24N4O4/c1-12(2)9-20-14(23)15(24)21(16(20)25)10-13(22)19(3)17(11-18)7-5-4-6-8-17/h12H,4-10H2,1-3H3
InChIKeyYAWKWBMMVRPNMY-UHFFFAOYSA-N
XLogP1.12
TPSA101.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocyclohexyl)-N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 17400204
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N-(1-cyanocyclohexyl)-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18100057
N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51435462
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 47004119
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CID 105353702
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55462141
N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78962673
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 43091446
N-(1-cyanocyclohexyl)-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43393702
N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide
CID 98844659
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 18099792) is N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)N(C)C2(C#N)CCCCC2)C1=O.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is YAWKWBMMVRPNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12(2)9-20-14(23)15(24)21(16(20)25)10-13(22)19(3)17(11-18)7-5-4-6-8-17/h12H,4-10H2,1-3H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 348.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 18099792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).