N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C18H31N3O3 — CID 25389480

IUPACN-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2C)C1=O
InChIInChI=1S/C18H31N3O3/c1-12(2)9-10-18(4)16(23)21(17(24)20-18)11-15(22)19-14-8-6-5-7-13(14)3/h12-14H,5-11H2,1-4H3,(H,19,22)(H,20,24)/t13-,14-,18-/m0/s1
InChIKeyFSGSCCQMWANIFT-DEYYWGMASA-N
MW337.46 g/mol
LogP2.43
Rot. Bonds6

About N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 25389480) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID25389480
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2C)C1=O
InChIInChI=1S/C18H31N3O3/c1-12(2)9-10-18(4)16(23)21(17(24)20-18)11-15(22)19-14-8-6-5-7-13(14)3/h12-14H,5-11H2,1-4H3,(H,19,22)(H,20,24)/t13-,14-,18-/m0/s1
InChIKeyFSGSCCQMWANIFT-DEYYWGMASA-N
XLogP2.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylcyclohexyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390572
N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41037231
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 4810319
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylcyclohexyl)acetamide
CID 17433534
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8011881
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011087
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 7180641
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7180891
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 95165836
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 124726524
2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7180650
N-[(1S,2S)-2-methylcyclohexyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 11924760

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 25389480) is N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2C)C1=O.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is FSGSCCQMWANIFT-DEYYWGMASA-N. The full InChI is InChI=1S/C18H31N3O3/c1-12(2)9-10-18(4)16(23)21(17(24)20-18)11-15(22)19-14-8-6-5-7-13(14)3/h12-14H,5-11H2,1-4H3,(H,19,22)(H,20,24)/t13-,14-,18-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 337.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 25389480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).