tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate

C19H25N3O2 — CID 173054324

IUPACtert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(NCc2ccccn2)cc1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)21-13-11-15-7-9-16(10-8-15)22-14-17-6-4-5-12-20-17/h4-10,12,22H,11,13-14H2,1-3H3,(H,21,23)
InChIKeyBVOLLYBNCCZUDO-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.76
Rot. Bonds6

About tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate

tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate (PubChem CID 173054324) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate
PubChem CID173054324
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nametert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(NCc2ccccn2)cc1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)21-13-11-15-7-9-16(10-8-15)22-14-17-6-4-5-12-20-17/h4-10,12,22H,11,13-14H2,1-3H3,(H,21,23)
InChIKeyBVOLLYBNCCZUDO-UHFFFAOYSA-N
XLogP3.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 110971226
tert-butyl N-[3-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]propyl]carbamate
CID 110971231
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate (CID 173054324) is tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc(NCc2ccccn2)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate?
The InChIKey is BVOLLYBNCCZUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)21-13-11-15-7-9-16(10-8-15)22-14-17-6-4-5-12-20-17/h4-10,12,22H,11,13-14H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate?
tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate has a molecular weight of 327.43 g/mol, XLogP of 3.76, 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-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate is sourced from PubChem (CID 173054324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).