tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate

C16H23FN2O4 — CID 58857939

IUPACtert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
SMILESCON(C)C(=O)CN(Cc1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23FN2O4/c1-16(2,3)23-15(21)19(11-14(20)18(4)22-5)10-12-6-8-13(17)9-7-12/h6-9H,10-11H2,1-5H3
InChIKeyOCJMADSHVNQOSK-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.58
Rot. Bonds5

About tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate

tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate (PubChem CID 58857939) has the molecular formula C16H23FN2O4 and a molecular weight of 326.37 g/mol. Its IUPAC name is tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
PubChem CID58857939
Molecular FormulaC16H23FN2O4
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Nametert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
SMILESCON(C)C(=O)CN(Cc1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23FN2O4/c1-16(2,3)23-15(21)19(11-14(20)18(4)22-5)10-12-6-8-13(17)9-7-12/h6-9H,10-11H2,1-5H3
InChIKeyOCJMADSHVNQOSK-UHFFFAOYSA-N
XLogP2.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate (CID 58857939) is tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate is CON(C)C(=O)CN(Cc1ccc(F)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
The InChIKey is OCJMADSHVNQOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4/c1-16(2,3)23-15(21)19(11-14(20)18(4)22-5)10-12-6-8-13(17)9-7-12/h6-9H,10-11H2,1-5H3.
What are the key properties of tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate has a molecular weight of 326.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 58857939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).