tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate

C14H21NO4 — CID 17340467

IUPACtert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
SMILESCOCCOc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(16)15-11-5-7-12(8-6-11)18-10-9-17-4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyFGAFYKWKORXUEL-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.06
Rot. Bonds5

About tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate

tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate (PubChem CID 17340467) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
PubChem CID17340467
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
SMILESCOCCOc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(16)15-11-5-7-12(8-6-11)18-10-9-17-4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyFGAFYKWKORXUEL-UHFFFAOYSA-N
XLogP3.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
tert-butyl N-[4-(6-bromohexoxy)phenyl]carbamate
CID 175668643
tert-butyl N-[3-[4-(2-methoxyethoxy)anilino]propyl]carbamate
CID 103821818
tert-butyl N-[4-[2-(propylamino)ethoxy]phenyl]carbamate
CID 107243405
tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate
CID 58812989
4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]ethoxy]butanoic acid;sulfane
CID 175451215
tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate
CID 107243419
tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate
CID 17097680
tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
CID 169468047
tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
CID 27758271
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate (CID 17340467) is tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate is COCCOc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate?
The InChIKey is FGAFYKWKORXUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)19-13(16)15-11-5-7-12(8-6-11)18-10-9-17-4/h5-8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate?
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate has a molecular weight of 267.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate is sourced from PubChem (CID 17340467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).