tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate

C21H26N2O4 — CID 86617500

IUPACtert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate
SMILESCONC(=O)[C@H](NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)27-20(25)22-18(19(24)23-26-4)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKeyOUMJMNDUGBPESO-GOSISDBHSA-N
MW370.45 g/mol
LogP3.39
Rot. Bonds6

About tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate

tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate (PubChem CID 86617500) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate
PubChem CID86617500
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Nametert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate
SMILESCONC(=O)[C@H](NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)27-20(25)22-18(19(24)23-26-4)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKeyOUMJMNDUGBPESO-GOSISDBHSA-N
XLogP3.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate (CID 86617500) is tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate is CONC(=O)[C@H](NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
The InChIKey is OUMJMNDUGBPESO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)27-20(25)22-18(19(24)23-26-4)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3,(H,22,25)(H,23,24)/t18-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate is sourced from PubChem (CID 86617500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).