tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate

C16H24N2O4 — CID 11449691

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate
SMILESCC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O4/c1-15(2,3)21-13(19)17-18(12-10-8-7-9-11-12)14(20)22-16(4,5)6/h7-11H,1-6H3,(H,17,19)
InChIKeyMUHKSPMVYCMXOR-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.87
Rot. Bonds1

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate (PubChem CID 11449691) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate
PubChem CID11449691
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate
SMILESCC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O4/c1-15(2,3)21-13(19)17-18(12-10-8-7-9-11-12)14(20)22-16(4,5)6/h7-11H,1-6H3,(H,17,19)
InChIKeyMUHKSPMVYCMXOR-UHFFFAOYSA-N
XLogP3.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate (CID 11449691) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate is CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate?
The InChIKey is MUHKSPMVYCMXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-15(2,3)21-13(19)17-18(12-10-8-7-9-11-12)14(20)22-16(4,5)6/h7-11H,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate has a molecular weight of 308.38 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-phenylcarbamate is sourced from PubChem (CID 11449691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).