tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate

C14H19NO4 — CID 16740544

IUPACtert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate
SMILESCOc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-9-12(16)10-5-7-11(18-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyMDFLXFYNPWKUEE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.40
Rot. Bonds4

About tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate

tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate (PubChem CID 16740544) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate
PubChem CID16740544
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nametert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate
SMILESCOc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-9-12(16)10-5-7-11(18-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyMDFLXFYNPWKUEE-UHFFFAOYSA-N
XLogP2.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate (CID 16740544) is tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate is COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate?
The InChIKey is MDFLXFYNPWKUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-9-12(16)10-5-7-11(18-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate is sourced from PubChem (CID 16740544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).