N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C23H27N5O6 — CID 55685061

IUPACN-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C23H27N5O6/c1-22(16-3-2-4-17(8-16)28(33)34)19(30)27(21(32)26-22)12-18(29)24-20(31)25-23-9-13-5-14(10-23)7-15(6-13)11-23/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,26,32)(H2,24,25,29,31)
InChIKeyZDSXCFHDVRGSQT-UHFFFAOYSA-N
MW469.50 g/mol
LogP2.16
Rot. Bonds5

About N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55685061) has the molecular formula C23H27N5O6 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55685061
Molecular FormulaC23H27N5O6
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC NameN-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C23H27N5O6/c1-22(16-3-2-4-17(8-16)28(33)34)19(30)27(21(32)26-22)12-18(29)24-20(31)25-23-9-13-5-14(10-23)7-15(6-13)11-23/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,26,32)(H2,24,25,29,31)
InChIKeyZDSXCFHDVRGSQT-UHFFFAOYSA-N
XLogP2.16
TPSA150.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075658
N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55374669
N,N-dimethyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075598
N-[2,6-di(propan-2-yl)phenyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075611
N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075508
N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 43075515
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180129
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55684983
N-(1-adamantyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802483
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 7988380
2-[[2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 43075675
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075672

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55685061) is N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZDSXCFHDVRGSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O6/c1-22(16-3-2-4-17(8-16)28(33)34)19(30)27(21(32)26-22)12-18(29)24-20(31)25-23-9-13-5-14(10-23)7-15(6-13)11-23/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,26,32)(H2,24,25,29,31).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 469.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55685061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).