tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate

C14H20N2O4 — CID 110611851

IUPACtert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate
SMILESCONC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-11(12(17)16-19-4)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,15,18)(H,16,17)
InChIKeyCRMHVIPYDLOWRS-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.93
Rot. Bonds4

About tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate

tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate (PubChem CID 110611851) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate
PubChem CID110611851
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate
SMILESCONC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-11(12(17)16-19-4)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,15,18)(H,16,17)
InChIKeyCRMHVIPYDLOWRS-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
CID 546260
2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid
CID 90120378
tert-butyl N-[2-(iodoamino)-2-oxo-1-phenylethyl]carbamate
CID 87741813
tert-butyl N-[1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate
CID 87744037
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135
tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate
CID 110406811
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylphenyl)acetate
CID 46184727
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]benzoic acid
CID 172731528
tert-butyl N-[2-(2-cyanopropan-2-ylamino)-2-oxo-1-phenylethyl]carbamate
CID 110605601
tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
CID 91260238

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate (CID 110611851) is tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate is CONC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate?
The InChIKey is CRMHVIPYDLOWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-11(12(17)16-19-4)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,15,18)(H,16,17).
What are the key properties of tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate?
tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate has a molecular weight of 280.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 110611851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).