tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate

C26H39N3O5 — CID 89358174

IUPACtert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate
SMILESCC(C)(C)OCN(CCN1CCOCC1)c1c(N(O)C(=O)OC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C26H39N3O5/c1-25(2,3)33-19-28(14-13-27-15-17-32-18-16-27)23-21-10-8-7-9-20(21)11-12-22(23)29(31)24(30)34-26(4,5)6/h7-12,31H,13-19H2,1-6H3
InChIKeyBVRNLLRSLVQPCP-UHFFFAOYSA-N
MW473.61 g/mol
LogP4.88
Rot. Bonds7

About tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate

tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate (PubChem CID 89358174) has the molecular formula C26H39N3O5 and a molecular weight of 473.61 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate
PubChem CID89358174
Molecular FormulaC26H39N3O5
Molecular Weight473.61 g/mol
Exact Mass473.29
IUPAC Nametert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate
SMILESCC(C)(C)OCN(CCN1CCOCC1)c1c(N(O)C(=O)OC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C26H39N3O5/c1-25(2,3)33-19-28(14-13-27-15-17-32-18-16-27)23-21-10-8-7-9-20(21)11-12-22(23)29(31)24(30)34-26(4,5)6/h7-12,31H,13-19H2,1-6H3
InChIKeyBVRNLLRSLVQPCP-UHFFFAOYSA-N
XLogP4.88
TPSA74.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate (CID 89358174) is tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate is CC(C)(C)OCN(CCN1CCOCC1)c1c(N(O)C(=O)OC(C)(C)C)ccc2ccccc12.
What is the InChIKey of tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate?
The InChIKey is BVRNLLRSLVQPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O5/c1-25(2,3)33-19-28(14-13-27-15-17-32-18-16-27)23-21-10-8-7-9-20(21)11-12-22(23)29(31)24(30)34-26(4,5)6/h7-12,31H,13-19H2,1-6H3.
What are the key properties of tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate?
tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate has a molecular weight of 473.61 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-[1-[(2-methylpropan-2-yl)oxymethyl-(2-morpholin-4-ylethyl)amino]naphthalen-2-yl]carbamate is sourced from PubChem (CID 89358174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).