tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate

C23H24N2O2 — CID 46901778

IUPACtert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)27-22(26)25-21-10-8-20(9-11-21)19-6-4-17(5-7-19)16-18-12-14-24-15-13-18/h4-15H,16H2,1-3H3,(H,25,26)
InChIKeyAEUAONZGDPXIKM-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.69
Rot. Bonds4

About tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate

tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate (PubChem CID 46901778) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate
PubChem CID46901778
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Nametert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)27-22(26)25-21-10-8-20(9-11-21)19-6-4-17(5-7-19)16-18-12-14-24-15-13-18/h4-15H,16H2,1-3H3,(H,25,26)
InChIKeyAEUAONZGDPXIKM-UHFFFAOYSA-N
XLogP5.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate (CID 46901778) is tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate?
The InChIKey is AEUAONZGDPXIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-23(2,3)27-22(26)25-21-10-8-20(9-11-21)19-6-4-17(5-7-19)16-18-12-14-24-15-13-18/h4-15H,16H2,1-3H3,(H,25,26).
What are the key properties of tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate?
tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate has a molecular weight of 360.46 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(pyridin-4-ylmethyl)phenyl]phenyl]carbamate is sourced from PubChem (CID 46901778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).