N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C18H28N4O3 — CID 7618860

IUPACN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O
InChIInChI=1S/C18H28N4O3/c1-12(2)17(3,11-19)20-14(23)10-22-15(24)18(4,21-16(22)25)13-8-6-5-7-9-13/h12-13H,5-10H2,1-4H3,(H,20,23)(H,21,25)/t17-,18-/m1/s1
InChIKeyIFYIKTOKEXNGSB-QZTJIDSGSA-N
MW348.45 g/mol
LogP1.93
Rot. Bonds5

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7618860) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7618860
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O
InChIInChI=1S/C18H28N4O3/c1-12(2)17(3,11-19)20-14(23)10-22-15(24)18(4,21-16(22)25)13-8-6-5-7-9-13/h12-13H,5-10H2,1-4H3,(H,20,23)(H,21,25)/t17-,18-/m1/s1
InChIKeyIFYIKTOKEXNGSB-QZTJIDSGSA-N
XLogP1.93
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.93
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-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17455990
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 42979278
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7043073
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7884022
N-(1-amino-2-methylpropan-2-yl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 119521788
N-(4-tert-butylphenyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7619141
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40881936
4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid
CID 129467724
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7618766
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7618772
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 7618408
N-(2-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119626308

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7618860) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O.
What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is IFYIKTOKEXNGSB-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12(2)17(3,11-19)20-14(23)10-22-15(24)18(4,21-16(22)25)13-8-6-5-7-9-13/h12-13H,5-10H2,1-4H3,(H,20,23)(H,21,25)/t17-,18-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7618860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).