tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate

C19H32N2O4 — CID 90246865

IUPACtert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate
SMILESCCCCOc1nc(C)cc(C)c1CN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O4/c1-7-8-11-24-17-16(14(2)12-15(3)20-17)13-21(9-10-22)18(23)25-19(4,5)6/h12,22H,7-11,13H2,1-6H3
InChIKeySDKYAGJDIOWFJJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.61
Rot. Bonds8

About tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate

tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate (PubChem CID 90246865) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate
PubChem CID90246865
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Nametert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate
SMILESCCCCOc1nc(C)cc(C)c1CN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O4/c1-7-8-11-24-17-16(14(2)12-15(3)20-17)13-21(9-10-22)18(23)25-19(4,5)6/h12,22H,7-11,13H2,1-6H3
InChIKeySDKYAGJDIOWFJJ-UHFFFAOYSA-N
XLogP3.61
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate (CID 90246865) is tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate is CCCCOc1nc(C)cc(C)c1CN(CCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate?
The InChIKey is SDKYAGJDIOWFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-7-8-11-24-17-16(14(2)12-15(3)20-17)13-21(9-10-22)18(23)25-19(4,5)6/h12,22H,7-11,13H2,1-6H3.
What are the key properties of tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate?
tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate has a molecular weight of 352.48 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 90246865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).