N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide

C24H26N4O3 — CID 55537845

IUPACN-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC2(C#N)CCCCCC2)C1=O
InChIInChI=1S/C24H26N4O3/c1-23(19-11-10-17-8-4-5-9-18(17)14-19)21(30)28(22(31)27-23)15-20(29)26-24(16-25)12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,26,29)(H,27,31)
InChIKeyKXJRYILJICIGOS-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.34
Rot. Bonds4

About N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 55537845) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID55537845
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC2(C#N)CCCCCC2)C1=O
InChIInChI=1S/C24H26N4O3/c1-23(19-11-10-17-8-4-5-9-18(17)14-19)21(30)28(22(31)27-23)15-20(29)26-24(16-25)12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,26,29)(H,27,31)
InChIKeyKXJRYILJICIGOS-UHFFFAOYSA-N
XLogP3.34
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.34
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-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7531444
N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7998545
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
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708839
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
[(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793306
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
N'-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 55495846

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 55537845) is N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC2(C#N)CCCCCC2)C1=O.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is KXJRYILJICIGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-23(19-11-10-17-8-4-5-9-18(17)14-19)21(30)28(22(31)27-23)15-20(29)26-24(16-25)12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,26,29)(H,27,31).
What are the key properties of N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 55537845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).