tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate

C15H23NO3 — CID 10683119

IUPACtert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
SMILESCN(CCC(O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(18)16(4)11-10-13(17)12-8-6-5-7-9-12/h5-9,13,17H,10-11H2,1-4H3
InChIKeyVKZADARPOUVUIA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.98
Rot. Bonds4

About tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate

tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate (PubChem CID 10683119) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
PubChem CID10683119
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
SMILESCN(CCC(O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(18)16(4)11-10-13(17)12-8-6-5-7-9-12/h5-9,13,17H,10-11H2,1-4H3
InChIKeyVKZADARPOUVUIA-UHFFFAOYSA-N
XLogP2.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate 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-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate (CID 10683119) is tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate is CN(CCC(O)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate?
The InChIKey is VKZADARPOUVUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-14(18)16(4)11-10-13(17)12-8-6-5-7-9-12/h5-9,13,17H,10-11H2,1-4H3.
What are the key properties of tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate?
tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate has a molecular weight of 265.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate is sourced from PubChem (CID 10683119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).