tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate

C15H23NO4 — CID 172597356

IUPACtert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCc1ccc(CO)cc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-8-9-19-11-13-6-4-12(10-17)5-7-13/h4-7,17H,8-11H2,1-3H3,(H,16,18)
InChIKeyQJMOXOMXAGPRAI-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.22
Rot. Bonds6

About tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate

tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate (PubChem CID 172597356) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate
PubChem CID172597356
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCc1ccc(CO)cc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-8-9-19-11-13-6-4-12(10-17)5-7-13/h4-7,17H,8-11H2,1-3H3,(H,16,18)
InChIKeyQJMOXOMXAGPRAI-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-(2-phenylmethoxyethyl)carbamate
CID 160954727
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
tert-butyl N-[2-[4-(hydroxymethyl)phenoxy]ethyl]carbamate
CID 122451762
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[4-(6-bromohexoxymethyl)phenyl]ethyl]carbamate
CID 122595944
tert-butyl N-[2-[(4-methoxy-3-nitrophenyl)methoxy]ethyl]carbamate
CID 155692185
tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate
CID 86645501
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-ynyl]carbamate
CID 121231499

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate (CID 172597356) is tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCc1ccc(CO)cc1.
What is the InChIKey of tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate?
The InChIKey is QJMOXOMXAGPRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-8-9-19-11-13-6-4-12(10-17)5-7-13/h4-7,17H,8-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate?
tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate has a molecular weight of 281.35 g/mol, XLogP of 2.22, 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-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate is sourced from PubChem (CID 172597356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).