tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate

C19H30FNO3 — CID 21196084

IUPACtert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCCCOCc1ccccc1F)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30FNO3/c1-15(2)21(18(22)24-19(3,4)5)12-8-9-13-23-14-16-10-6-7-11-17(16)20/h6-7,10-11,15H,8-9,12-14H2,1-5H3
InChIKeyNBLUVIIJSHLQKH-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.77
Rot. Bonds8

About tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate

tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate (PubChem CID 21196084) has the molecular formula C19H30FNO3 and a molecular weight of 339.45 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate
PubChem CID21196084
Molecular FormulaC19H30FNO3
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Nametert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCCCOCc1ccccc1F)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30FNO3/c1-15(2)21(18(22)24-19(3,4)5)12-8-9-13-23-14-16-10-6-7-11-17(16)20/h6-7,10-11,15H,8-9,12-14H2,1-5H3
InChIKeyNBLUVIIJSHLQKH-UHFFFAOYSA-N
XLogP4.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate (CID 21196084) is tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate is CC(C)N(CCCCOCc1ccccc1F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate?
The InChIKey is NBLUVIIJSHLQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO3/c1-15(2)21(18(22)24-19(3,4)5)12-8-9-13-23-14-16-10-6-7-11-17(16)20/h6-7,10-11,15H,8-9,12-14H2,1-5H3.
What are the key properties of tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate?
tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate has a molecular weight of 339.45 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-fluorophenyl)methoxy]butyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 21196084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).