tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C17H26N2O4 — CID 67535067

IUPACtert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1cc(C)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H26N2O4/c1-11-9-12(2)18-13(10-11)19(14(20)22-16(3,4)5)15(21)23-17(6,7)8/h9-10H,1-8H3
InChIKeyQXQXZZUPXJBLHR-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.38
Rot. Bonds1

About tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 67535067) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID67535067
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1cc(C)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H26N2O4/c1-11-9-12(2)18-13(10-11)19(14(20)22-16(3,4)5)15(21)23-17(6,7)8/h9-10H,1-8H3
InChIKeyQXQXZZUPXJBLHR-UHFFFAOYSA-N
XLogP4.38
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 67535067) is tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is Cc1cc(C)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is QXQXZZUPXJBLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11-9-12(2)18-13(10-11)19(14(20)22-16(3,4)5)15(21)23-17(6,7)8/h9-10H,1-8H3.
What are the key properties of tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,6-dimethyl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 67535067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).