tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate

C14H20N2O3 — CID 2795733

IUPACtert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-9-8-15-10-11-4-6-12(17)7-5-11/h4-7,10,17H,8-9H2,1-3H3,(H,16,18)/b15-10+
InChIKeyKBVSISIMHDWSJR-XNTDXEJSSA-N
MW264.32 g/mol
LogP2.34
Rot. Bonds4

About tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate

tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate (PubChem CID 2795733) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate
PubChem CID2795733
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-9-8-15-10-11-4-6-12(17)7-5-11/h4-7,10,17H,8-9H2,1-3H3,(H,16,18)/b15-10+
InChIKeyKBVSISIMHDWSJR-XNTDXEJSSA-N
XLogP2.34
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[(4-fluorophenyl)methylideneamino]propyl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 11144852
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate
CID 146613721
tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate
CID 101473638
tert-butyl N-[2-[[3-(hexylcarbamoyl)phenyl]methylideneamino]ethyl]carbamate;ethane
CID 144646267
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[2-[bis[2-[(3-methoxyphenyl)methylideneamino]ethyl]amino]ethyl]carbamate
CID 11799009
tert-butyl N-[2-[3-methyl-4-[[4-[[2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]ethyl]carbamate
CID 145060059
tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate
CID 84730927
tert-butyl N-[4-[(1E,6E)-7-(4-hydroxyphenyl)-3,5-dioxohepta-1,6-dienyl]phenyl]carbamate
CID 68551182
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate
CID 171884279
tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate
CID 115059235

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate (CID 2795733) is tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate is CC(C)(C)OC(=O)NCC/N=C/c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate?
The InChIKey is KBVSISIMHDWSJR-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-9-8-15-10-11-4-6-12(17)7-5-11/h4-7,10,17H,8-9H2,1-3H3,(H,16,18)/b15-10+.
What are the key properties of tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate?
tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.34, 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-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate is sourced from PubChem (CID 2795733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).