tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate

C17H27NO3 — CID 58790256

IUPACtert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate
SMILESCC(C)c1ccc(OCCN(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-13(2)14-7-9-15(10-8-14)20-12-11-18(6)16(19)21-17(3,4)5/h7-10,13H,11-12H2,1-6H3
InChIKeyDIPKNLSBLHLGBY-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.06
Rot. Bonds5

About tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate

tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate (PubChem CID 58790256) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate
PubChem CID58790256
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nametert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate
SMILESCC(C)c1ccc(OCCN(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-13(2)14-7-9-15(10-8-14)20-12-11-18(6)16(19)21-17(3,4)5/h7-10,13H,11-12H2,1-6H3
InChIKeyDIPKNLSBLHLGBY-UHFFFAOYSA-N
XLogP4.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[4-(chloromethyl)phenoxy]ethyl]-N-methylcarbamate
CID 58870313
tert-butyl N-methyl-N-[2-[4-[3-(trifluoromethyl)diaziridin-3-yl]phenoxy]ethyl]carbamate
CID 166148008
tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
CID 146282121
tert-butyl N-[3-(4-formylphenoxy)propyl]-N-methylcarbamate
CID 157022008
tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate
CID 139317833
tert-butyl N-[2-(3-bromo-5-chlorophenoxy)ethyl]-N-methylcarbamate
CID 123463013
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
[4-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl] 2-(4-propan-2-ylphenyl)acetate
CID 67439787
tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate
CID 142449240
tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate
CID 73056972
N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide
CID 116820440
tert-butyl N-[2-(4-isothiocyanatophenoxy)ethyl]-N-propan-2-ylcarbamate
CID 86590645

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate (CID 58790256) is tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate is CC(C)c1ccc(OCCN(C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate?
The InChIKey is DIPKNLSBLHLGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)14-7-9-15(10-8-14)20-12-11-18(6)16(19)21-17(3,4)5/h7-10,13H,11-12H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate is sourced from PubChem (CID 58790256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).