N-(1-adamantyl)-2-(2-nitrophenyl)acetamide

C18H22N2O3 — CID 27650254

IUPACN-(1-adamantyl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O3/c21-17(8-15-3-1-2-4-16(15)20(22)23)19-18-9-12-5-13(10-18)7-14(6-12)11-18/h1-4,12-14H,5-11H2,(H,19,21)
InChIKeyCPSRQOGKPLMAAT-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.22
Rot. Bonds4

About N-(1-adamantyl)-2-(2-nitrophenyl)acetamide

N-(1-adamantyl)-2-(2-nitrophenyl)acetamide (PubChem CID 27650254) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-nitrophenyl)acetamide
PubChem CID27650254
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-(1-adamantyl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O3/c21-17(8-15-3-1-2-4-16(15)20(22)23)19-18-9-12-5-13(10-18)7-14(6-12)11-18/h1-4,12-14H,5-11H2,(H,19,21)
InChIKeyCPSRQOGKPLMAAT-UHFFFAOYSA-N
XLogP3.22
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide
CID 115764632
1-[[2-(2-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158336
N-(1-adamantylcarbamothioyl)-2-nitrobenzamide
CID 4635342
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-nitrophenyl)acetamide
CID 976012
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
CID 62521825
N-(1-adamantyl)-3-(4-amino-3-nitrophenyl)propanamide
CID 19038183
N-[(2-nitrophenyl)methyl]adamantan-2-amine
CID 792005
N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide
CID 4212692
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692
[2-(1-adamantylamino)-2-oxoethyl] 4-chloro-3-nitrobenzoate
CID 7471389
N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 116649980
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(2-nitrophenyl)acetamide (CID 27650254) is N-(1-adamantyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is CPSRQOGKPLMAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-17(8-15-3-1-2-4-16(15)20(22)23)19-18-9-12-5-13(10-18)7-14(6-12)11-18/h1-4,12-14H,5-11H2,(H,19,21).
What are the key properties of N-(1-adamantyl)-2-(2-nitrophenyl)acetamide?
N-(1-adamantyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 27650254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).