tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C13H24N2O5 — CID 12030174

IUPACtert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(=O)N(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-9(16)14(8)15(10(17)19-12(2,3)4)11(18)20-13(5,6)7/h1-8H3
InChIKeyAJARWLGPFSFYFI-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.55
Rot. Bonds

About tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 12030174) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID12030174
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Nametert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(=O)N(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-9(16)14(8)15(10(17)19-12(2,3)4)11(18)20-13(5,6)7/h1-8H3
InChIKeyAJARWLGPFSFYFI-UHFFFAOYSA-N
XLogP2.55
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 12030174) is tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(=O)N(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is AJARWLGPFSFYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-9(16)14(8)15(10(17)19-12(2,3)4)11(18)20-13(5,6)7/h1-8H3.
What are the key properties of tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 288.34 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 12030174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).