ethyl N-(4-tert-butylphenyl)carbamate

C13H19NO2 — CID 20519065

IUPACethyl N-(4-tert-butylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-5-16-12(15)14-11-8-6-10(7-9-11)13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyZOMNARIOAGLWKV-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.55
Rot. Bonds2

About ethyl N-(4-tert-butylphenyl)carbamate

ethyl N-(4-tert-butylphenyl)carbamate (PubChem CID 20519065) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl N-(4-tert-butylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-tert-butylphenyl)carbamate
PubChem CID20519065
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl N-(4-tert-butylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-5-16-12(15)14-11-8-6-10(7-9-11)13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyZOMNARIOAGLWKV-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
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ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-tert-butylphenyl)carbamate?
The IUPAC name of ethyl N-(4-tert-butylphenyl)carbamate (CID 20519065) is ethyl N-(4-tert-butylphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-tert-butylphenyl)carbamate?
The canonical SMILES for ethyl N-(4-tert-butylphenyl)carbamate is CCOC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl N-(4-tert-butylphenyl)carbamate?
The InChIKey is ZOMNARIOAGLWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-16-12(15)14-11-8-6-10(7-9-11)13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of ethyl N-(4-tert-butylphenyl)carbamate?
ethyl N-(4-tert-butylphenyl)carbamate has a molecular weight of 221.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-tert-butylphenyl)carbamate is sourced from PubChem (CID 20519065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).