tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate

C15H23NO4 — CID 66675893

IUPACtert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)COCc1ccccc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-9-13(17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)
InChIKeyXFSAGJQTUBCWFN-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.09
Rot. Bonds6

About tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate

tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate (PubChem CID 66675893) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate
PubChem CID66675893
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)COCc1ccccc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-9-13(17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)
InChIKeyXFSAGJQTUBCWFN-UHFFFAOYSA-N
XLogP2.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)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-3-phenylmethoxypropyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate (CID 66675893) is tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate is CC(C)(C)OC(=O)NCC(O)COCc1ccccc1.
What is the InChIKey of tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate?
The InChIKey is XFSAGJQTUBCWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-9-13(17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate?
tert-butyl N-(2-hydroxy-3-phenylmethoxypropyl)carbamate has a molecular weight of 281.35 g/mol, XLogP of 2.09, 6 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-3-phenylmethoxypropyl)carbamate is sourced from PubChem (CID 66675893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).