2-(1-adamantyl)-N-(4-aminophenyl)acetamide

C18H24N2O — CID 79987888

IUPAC2-(1-adamantyl)-N-(4-aminophenyl)acetamide
SMILESNc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24N2O/c19-15-1-3-16(4-2-15)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11,19H2,(H,20,21)
InChIKeyHLDYQKWWVQAAMU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.81
Rot. Bonds3

About 2-(1-adamantyl)-N-(4-aminophenyl)acetamide

2-(1-adamantyl)-N-(4-aminophenyl)acetamide (PubChem CID 79987888) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-aminophenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-aminophenyl)acetamide
PubChem CID79987888
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(1-adamantyl)-N-(4-aminophenyl)acetamide
SMILESNc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24N2O/c19-15-1-3-16(4-2-15)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11,19H2,(H,20,21)
InChIKeyHLDYQKWWVQAAMU-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 3621040
2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 3158011
N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 108933649
2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide
CID 3436472
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
1-adamantyl N-(4-aminophenyl)carbamate
CID 89196644
N-[4-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,4-dichlorobenzamide
CID 4032449
2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide
CID 166321688
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
CID 2741131
4-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]benzamide
CID 2370309
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-aminophenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-aminophenyl)acetamide (CID 79987888) is 2-(1-adamantyl)-N-(4-aminophenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-aminophenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-aminophenyl)acetamide is Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-(4-aminophenyl)acetamide?
The InChIKey is HLDYQKWWVQAAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-15-1-3-16(4-2-15)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11,19H2,(H,20,21).
What are the key properties of 2-(1-adamantyl)-N-(4-aminophenyl)acetamide?
2-(1-adamantyl)-N-(4-aminophenyl)acetamide has a molecular weight of 284.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-aminophenyl)acetamide is sourced from PubChem (CID 79987888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).