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Tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate

C17H27NO3 — CID 174316953

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate
SMILESCOCCc1ccc(C(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-13(12-18-16(19)21-17(2,3)4)15-8-6-14(7-9-15)10-11-20-5/h6-9,13H,10-12H2,1-5H3,(H,18,19)
InChIKeyJHYJUFUQSPXQIX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.50
Rot. Bonds6

About Tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate

Tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate (PubChem CID 174316953) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate.

Molecular Properties

Compound NameTert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate
PubChem CID174316953
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nametert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate
SMILESCOCCc1ccc(C(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-13(12-18-16(19)21-17(2,3)4)15-8-6-14(7-9-15)10-11-20-5/h6-9,13H,10-12H2,1-5H3,(H,18,19)
InChIKeyJHYJUFUQSPXQIX-UHFFFAOYSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate?
The IUPAC name of Tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate (CID 174316953) is tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate.
What is the SMILES notation for Tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate?
The canonical SMILES for Tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate is COCCc1ccc(C(C)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of Tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate?
The InChIKey is JHYJUFUQSPXQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(12-18-16(19)21-17(2,3)4)15-8-6-14(7-9-15)10-11-20-5/h6-9,13H,10-12H2,1-5H3,(H,18,19).
What are the key properties of Tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate?
Tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate is sourced from PubChem (CID 174316953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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