N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C24H28N4O3 — CID 4204555

IUPACN-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N4O3/c29-21(27-24-9-14-5-15(10-24)7-16(6-14)11-24)13-28-22(30)20(26-23(28)31)8-17-12-25-19-4-2-1-3-18(17)19/h1-4,12,14-16,20,25H,5-11,13H2,(H,26,31)(H,27,29)
InChIKeyLQYJLELUGVSRJD-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.72
Rot. Bonds5

About N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4204555) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4204555
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N4O3/c29-21(27-24-9-14-5-15(10-24)7-16(6-14)11-24)13-28-22(30)20(26-23(28)31)8-17-12-25-19-4-2-1-3-18(17)19/h1-4,12,14-16,20,25H,5-11,13H2,(H,26,31)(H,27,29)
InChIKeyLQYJLELUGVSRJD-UHFFFAOYSA-N
XLogP2.72
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556304
N-benzhydryl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 97081319
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027
N-(2,6-difluorophenyl)-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 9170327
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 3473430
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 6601813
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51564726
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41103981
(5S)-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 6598972
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 3480729
N-(3-fluorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51864114
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2653207

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4204555) is N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is O=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is LQYJLELUGVSRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-21(27-24-9-14-5-15(10-24)7-16(6-14)11-24)13-28-22(30)20(26-23(28)31)8-17-12-25-19-4-2-1-3-18(17)19/h1-4,12,14-16,20,25H,5-11,13H2,(H,26,31)(H,27,29).
What are the key properties of N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4204555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).