tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate

C15H22N2O4 — CID 57222453

IUPACtert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate
SMILESCONC(=O)C(CNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-10-12(13(18)17-20-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyQEPNEHOLSFTTGJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.97
Rot. Bonds5

About tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate

tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate (PubChem CID 57222453) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate
PubChem CID57222453
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate
SMILESCONC(=O)C(CNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-10-12(13(18)17-20-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyQEPNEHOLSFTTGJ-UHFFFAOYSA-N
XLogP1.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.97
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-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate
CID 110611851
(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid
CID 11231294
tert-butyl N-[1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate
CID 87744037
tert-butyl N-[3-(cyanomethylamino)-2-(4-hydroxyphenyl)-3-oxopropyl]carbamate
CID 87994072
2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20564816
methyl 2-[4-(aminomethyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 176719173
methyl 2-[4-(hydroxymethyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 66599860
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylbutanoate
CID 156758863
tert-butyl N-[(2S)-3-(isoquinolin-5-ylamino)-3-oxo-2-phenylpropyl]carbamate
CID 129379308
methyl (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10565656
tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
CID 97086612

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate (CID 57222453) is tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate is CONC(=O)C(CNC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate?
The InChIKey is QEPNEHOLSFTTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-10-12(13(18)17-20-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate?
tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate is sourced from PubChem (CID 57222453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).