tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate

C19H26N4O4 — CID 68804909

IUPACtert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCOc1ccccn1)C(N)COc1ccccn1
InChIInChI=1S/C19H26N4O4/c1-19(2,3)27-18(24)23(12-13-25-16-8-4-6-10-21-16)15(20)14-26-17-9-5-7-11-22-17/h4-11,15H,12-14,20H2,1-3H3
InChIKeyNHQVSTOOSMOHMD-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.46
Rot. Bonds8

About tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate

tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate (PubChem CID 68804909) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate
PubChem CID68804909
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nametert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCOc1ccccn1)C(N)COc1ccccn1
InChIInChI=1S/C19H26N4O4/c1-19(2,3)27-18(24)23(12-13-25-16-8-4-6-10-21-16)15(20)14-26-17-9-5-7-11-22-17/h4-11,15H,12-14,20H2,1-3H3
InChIKeyNHQVSTOOSMOHMD-UHFFFAOYSA-N
XLogP2.46
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate (CID 68804909) is tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate is CC(C)(C)OC(=O)N(CCOc1ccccn1)C(N)COc1ccccn1.
What is the InChIKey of tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate?
The InChIKey is NHQVSTOOSMOHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-19(2,3)27-18(24)23(12-13-25-16-8-4-6-10-21-16)15(20)14-26-17-9-5-7-11-22-17/h4-11,15H,12-14,20H2,1-3H3.
What are the key properties of tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate?
tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate has a molecular weight of 374.44 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate is sourced from PubChem (CID 68804909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).