tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate

C24H28N2O3 — CID 162379773

IUPACtert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccc2ccccc2c1)CC(O)c1cccnc1
InChIInChI=1S/C24H28N2O3/c1-24(2,3)29-23(28)26(17-22(27)21-9-6-13-25-16-21)14-12-18-10-11-19-7-4-5-8-20(19)15-18/h4-11,13,15-16,22,27H,12,14,17H2,1-3H3
InChIKeyDZIHQDYNNQOXFE-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.75
Rot. Bonds6

About tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate

tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate (PubChem CID 162379773) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate
PubChem CID162379773
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Nametert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccc2ccccc2c1)CC(O)c1cccnc1
InChIInChI=1S/C24H28N2O3/c1-24(2,3)29-23(28)26(17-22(27)21-9-6-13-25-16-21)14-12-18-10-11-19-7-4-5-8-20(19)15-18/h4-11,13,15-16,22,27H,12,14,17H2,1-3H3
InChIKeyDZIHQDYNNQOXFE-UHFFFAOYSA-N
XLogP4.75
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate (CID 162379773) is tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate is CC(C)(C)OC(=O)N(CCc1ccc2ccccc2c1)CC(O)c1cccnc1.
What is the InChIKey of tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate?
The InChIKey is DZIHQDYNNQOXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-24(2,3)29-23(28)26(17-22(27)21-9-6-13-25-16-21)14-12-18-10-11-19-7-4-5-8-20(19)15-18/h4-11,13,15-16,22,27H,12,14,17H2,1-3H3.
What are the key properties of tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate?
tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate has a molecular weight of 392.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(2-naphthalen-2-ylethyl)carbamate is sourced from PubChem (CID 162379773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).