tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate

C18H20BrNO2 — CID 134880783

IUPACtert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)c1ccc2ccccc2c1Br
InChIInChI=1S/C18H20BrNO2/c1-5-12-20(17(21)22-18(2,3)4)15-11-10-13-8-6-7-9-14(13)16(15)19/h5-11H,1,12H2,2-4H3
InChIKeyCUMFZIWROPVAGR-UHFFFAOYSA-N
MW362.27 g/mol
LogP5.53
Rot. Bonds3

About tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate

tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate (PubChem CID 134880783) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate
PubChem CID134880783
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Nametert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)c1ccc2ccccc2c1Br
InChIInChI=1S/C18H20BrNO2/c1-5-12-20(17(21)22-18(2,3)4)15-11-10-13-8-6-7-9-14(13)16(15)19/h5-11H,1,12H2,2-4H3
InChIKeyCUMFZIWROPVAGR-UHFFFAOYSA-N
XLogP5.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.27
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate (CID 134880783) is tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)c1ccc2ccccc2c1Br.
What is the InChIKey of tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate?
The InChIKey is CUMFZIWROPVAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-5-12-20(17(21)22-18(2,3)4)15-11-10-13-8-6-7-9-14(13)16(15)19/h5-11H,1,12H2,2-4H3.
What are the key properties of tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate?
tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate has a molecular weight of 362.27 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-bromonaphthalen-2-yl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 134880783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).