tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate

C14H20N2O4 — CID 33104899

IUPACtert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
SMILESCONC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-11-7-5-10(6-8-11)9-12(17)16-19-4/h5-8H,9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyGFEIZYCZEHDUBH-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.25
Rot. Bonds4

About tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate (PubChem CID 33104899) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
PubChem CID33104899
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
SMILESCONC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-11-7-5-10(6-8-11)9-12(17)16-19-4/h5-8H,9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyGFEIZYCZEHDUBH-UHFFFAOYSA-N
XLogP2.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-[4-[2-[methoxy(methyl)amino]-2-oxoethyl]phenyl]carbamate
CID 131868653
tert-butyl N-[4-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]phenyl]carbamate
CID 78847906
tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate
CID 46556125
methyl 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
CID 14284326
tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate
CID 90364732
methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylamino]propanoate
CID 107239586
tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
CID 122648326
tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate
CID 58812989
ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate
CID 39982679
tert-butyl N-[4-[(trifluoromethylamino)methyl]phenyl]carbamate
CID 174812466

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate (CID 33104899) is tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate is CONC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate?
The InChIKey is GFEIZYCZEHDUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-11-7-5-10(6-8-11)9-12(17)16-19-4/h5-8H,9H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate has a molecular weight of 280.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 33104899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).