tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate

C16H24FNO4 — CID 18933341

IUPACtert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate
SMILESCOC(CO)CN(Cc1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24FNO4/c1-16(2,3)22-15(20)18(10-14(11-19)21-4)9-12-5-7-13(17)8-6-12/h5-8,14,19H,9-11H2,1-4H3
InChIKeyFSAUXVNVSZVUQP-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.57
Rot. Bonds6

About tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate

tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate (PubChem CID 18933341) has the molecular formula C16H24FNO4 and a molecular weight of 313.37 g/mol. Its IUPAC name is tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate
PubChem CID18933341
Molecular FormulaC16H24FNO4
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Nametert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate
SMILESCOC(CO)CN(Cc1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24FNO4/c1-16(2,3)22-15(20)18(10-14(11-19)21-4)9-12-5-7-13(17)8-6-12/h5-8,14,19H,9-11H2,1-4H3
InChIKeyFSAUXVNVSZVUQP-UHFFFAOYSA-N
XLogP2.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate?
The IUPAC name of tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate (CID 18933341) is tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate?
The canonical SMILES for tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate is COC(CO)CN(Cc1ccc(F)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate?
The InChIKey is FSAUXVNVSZVUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO4/c1-16(2,3)22-15(20)18(10-14(11-19)21-4)9-12-5-7-13(17)8-6-12/h5-8,14,19H,9-11H2,1-4H3.
What are the key properties of tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate?
tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate has a molecular weight of 313.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluorophenyl)methyl]-N-(3-hydroxy-2-methoxypropyl)carbamate is sourced from PubChem (CID 18933341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).