tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate

C19H29N3O5 — CID 59353329

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C19H29N3O5/c1-18(2,3)26-16(23)22(17(24)27-19(4,5)6)15-13-14(7-8-20-15)21-9-11-25-12-10-21/h7-8,13H,9-12H2,1-6H3
InChIKeyCCLFDMGPGUCSJL-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.59
Rot. Bonds2

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

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate (PubChem CID 59353329) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate
PubChem CID59353329
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C19H29N3O5/c1-18(2,3)26-16(23)22(17(24)27-19(4,5)6)15-13-14(7-8-20-15)21-9-11-25-12-10-21/h7-8,13H,9-12H2,1-6H3
InChIKeyCCLFDMGPGUCSJL-UHFFFAOYSA-N
XLogP3.59
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate (CID 59353329) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate?
The InChIKey is CCLFDMGPGUCSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-18(2,3)26-16(23)22(17(24)27-19(4,5)6)15-13-14(7-8-20-15)21-9-11-25-12-10-21/h7-8,13H,9-12H2,1-6H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate has a molecular weight of 379.46 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate is sourced from PubChem (CID 59353329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).