tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate

C17H23FN2O4 — CID 153400231

IUPACtert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate
SMILESCc1ccc(NC(=O)C2CN(C(=O)OC(C)(C)C)CCO2)cc1F
InChIInChI=1S/C17H23FN2O4/c1-11-5-6-12(9-13(11)18)19-15(21)14-10-20(7-8-23-14)16(22)24-17(2,3)4/h5-6,9,14H,7-8,10H2,1-4H3,(H,19,21)
InChIKeyJCBWENXERWLYEC-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate

tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate (PubChem CID 153400231) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate
PubChem CID153400231
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Nametert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate
SMILESCc1ccc(NC(=O)C2CN(C(=O)OC(C)(C)C)CCO2)cc1F
InChIInChI=1S/C17H23FN2O4/c1-11-5-6-12(9-13(11)18)19-15(21)14-10-20(7-8-23-14)16(22)24-17(2,3)4/h5-6,9,14H,7-8,10H2,1-4H3,(H,19,21)
InChIKeyJCBWENXERWLYEC-UHFFFAOYSA-N
XLogP2.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate (CID 153400231) is tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate is Cc1ccc(NC(=O)C2CN(C(=O)OC(C)(C)C)CCO2)cc1F.
What is the InChIKey of tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate?
The InChIKey is JCBWENXERWLYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-11-5-6-12(9-13(11)18)19-15(21)14-10-20(7-8-23-14)16(22)24-17(2,3)4/h5-6,9,14H,7-8,10H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate?
tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate has a molecular weight of 338.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate is sourced from PubChem (CID 153400231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).