1-adamantyl N-(4-aminophenyl)carbamate

C17H22N2O2 — CID 89196644

IUPAC1-adamantyl N-(4-aminophenyl)carbamate
SMILESNc1ccc(NC(=O)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H22N2O2/c18-14-1-3-15(4-2-14)19-16(20)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10,18H2,(H,19,20)
InChIKeyHGXITJYMUCMEDS-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.79
Rot. Bonds2

About 1-adamantyl N-(4-aminophenyl)carbamate

1-adamantyl N-(4-aminophenyl)carbamate (PubChem CID 89196644) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-adamantyl N-(4-aminophenyl)carbamate.

Molecular Properties

Compound Name1-adamantyl N-(4-aminophenyl)carbamate
PubChem CID89196644
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-adamantyl N-(4-aminophenyl)carbamate
SMILESNc1ccc(NC(=O)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H22N2O2/c18-14-1-3-15(4-2-14)19-16(20)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10,18H2,(H,19,20)
InChIKeyHGXITJYMUCMEDS-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl N-(4-aminophenyl)carbamate?
The IUPAC name of 1-adamantyl N-(4-aminophenyl)carbamate (CID 89196644) is 1-adamantyl N-(4-aminophenyl)carbamate.
What is the SMILES notation for 1-adamantyl N-(4-aminophenyl)carbamate?
The canonical SMILES for 1-adamantyl N-(4-aminophenyl)carbamate is Nc1ccc(NC(=O)OC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-adamantyl N-(4-aminophenyl)carbamate?
The InChIKey is HGXITJYMUCMEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-14-1-3-15(4-2-14)19-16(20)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10,18H2,(H,19,20).
What are the key properties of 1-adamantyl N-(4-aminophenyl)carbamate?
1-adamantyl N-(4-aminophenyl)carbamate has a molecular weight of 286.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl N-(4-aminophenyl)carbamate is sourced from PubChem (CID 89196644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).