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

C14H21NO4 — CID 15631601

IUPACtert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(C(O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-9-12(16)10-5-7-11(18-4)8-6-10/h5-8,12,16H,9H2,1-4H3,(H,15,17)
InChIKeyASCGHPKBVNJCGC-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.25
Rot. Bonds4

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

tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate (PubChem CID 15631601) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate
PubChem CID15631601
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(C(O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-9-12(16)10-5-7-11(18-4)8-6-10/h5-8,12,16H,9H2,1-4H3,(H,15,17)
InChIKeyASCGHPKBVNJCGC-UHFFFAOYSA-N
XLogP2.25
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate (CID 15631601) is tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate is COc1ccc(C(O)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate?
The InChIKey is ASCGHPKBVNJCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-9-12(16)10-5-7-11(18-4)8-6-10/h5-8,12,16H,9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate?
tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate has a molecular weight of 267.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 15631601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).