tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate

C19H25NO3 — CID 134999298

IUPACtert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(N(C(=O)OC(C)(C)C)C2CC3C=CC2C3)cc1
InChIInChI=1S/C19H25NO3/c1-19(2,3)23-18(21)20(15-7-9-16(22-4)10-8-15)17-12-13-5-6-14(17)11-13/h5-10,13-14,17H,11-12H2,1-4H3
InChIKeyOXONIZQRQWBRRB-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.40
Rot. Bonds3

About tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate

tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate (PubChem CID 134999298) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate
PubChem CID134999298
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Nametert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(N(C(=O)OC(C)(C)C)C2CC3C=CC2C3)cc1
InChIInChI=1S/C19H25NO3/c1-19(2,3)23-18(21)20(15-7-9-16(22-4)10-8-15)17-12-13-5-6-14(17)11-13/h5-10,13-14,17H,11-12H2,1-4H3
InChIKeyOXONIZQRQWBRRB-UHFFFAOYSA-N
XLogP4.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate (CID 134999298) is tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate is COc1ccc(N(C(=O)OC(C)(C)C)C2CC3C=CC2C3)cc1.
What is the InChIKey of tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate?
The InChIKey is OXONIZQRQWBRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-19(2,3)23-18(21)20(15-7-9-16(22-4)10-8-15)17-12-13-5-6-14(17)11-13/h5-10,13-14,17H,11-12H2,1-4H3.
What are the key properties of tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate?
tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate has a molecular weight of 315.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 134999298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).