N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C18H20N4O3 — CID 7531444

IUPACN-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O
InChIInChI=1S/C18H20N4O3/c1-17(13-7-3-2-4-8-13)15(24)22(16(25)21-17)11-14(23)20-18(12-19)9-5-6-10-18/h2-4,7-8H,5-6,9-11H2,1H3,(H,20,23)(H,21,25)/t17-/m0/s1
InChIKeySCHWGFRGLJSMOB-KRWDZBQOSA-N
MW340.38 g/mol
LogP1.41
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 7531444) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID7531444
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O
InChIInChI=1S/C18H20N4O3/c1-17(13-7-3-2-4-8-13)15(24)22(16(25)21-17)11-14(23)20-18(12-19)9-5-6-10-18/h2-4,7-8H,5-6,9-11H2,1H3,(H,20,23)(H,21,25)/t17-/m0/s1
InChIKeySCHWGFRGLJSMOB-KRWDZBQOSA-N
XLogP1.41
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.41
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

[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708839
N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7998545
N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55537845
N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7431279
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 40942263
N-(1-cyanocyclopentyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4823027
N-(1-cyanocyclohexyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7431297
N-cyclopentyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580741
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-ynylacetamide
CID 42891284
N-cyclohexyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580985
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
N'-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide
CID 26865674

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 7531444) is N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is SCHWGFRGLJSMOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-17(13-7-3-2-4-8-13)15(24)22(16(25)21-17)11-14(23)20-18(12-19)9-5-6-10-18/h2-4,7-8H,5-6,9-11H2,1H3,(H,20,23)(H,21,25)/t17-/m0/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7531444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).