ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate

C17H27NO2 — CID 134283843

IUPACethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate
SMILESCCOC(=O)N(CC)c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C17H27NO2/c1-8-18(16(19)20-9-2)15-12(3)10-14(11-13(15)4)17(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyROUFWPFOVPJQDE-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.58
Rot. Bonds3

About ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate

ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate (PubChem CID 134283843) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate
PubChem CID134283843
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate
SMILESCCOC(=O)N(CC)c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C17H27NO2/c1-8-18(16(19)20-9-2)15-12(3)10-14(11-13(15)4)17(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyROUFWPFOVPJQDE-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-tert-butyl-2-[ethoxycarbonyl(ethyl)amino]-6-methylphenyl] acetate
CID 134519998
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
ethyl (2R)-2-[4-[ethoxycarbonyl(ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 2249283
ethyl 2-[4-[ethoxycarbonyl(ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 2829560
ethyl 2-(3,5-ditert-butylphenyl)-2-hydroxypropanoate
CID 143309553
(3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate
CID 68735329
ethyl 2-(4-tert-butyl-2-methyl-6-sulfanylphenoxy)acetate
CID 58106112
carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide
CID 135077934
ethyl 3-amino-5-tert-butylbenzoate
CID 66733097
(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid
CID 115170748
(2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid
CID 134841276
2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 10082173

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate?
The IUPAC name of ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate (CID 134283843) is ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate.
What is the SMILES notation for ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate?
The canonical SMILES for ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate is CCOC(=O)N(CC)c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate?
The InChIKey is ROUFWPFOVPJQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-8-18(16(19)20-9-2)15-12(3)10-14(11-13(15)4)17(5,6)7/h10-11H,8-9H2,1-7H3.
What are the key properties of ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate?
ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate has a molecular weight of 277.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate is sourced from PubChem (CID 134283843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).