[[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate

C19H22N2O5 — CID 46837462

IUPAC[[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate
SMILESCONC(=O)OC(c1ccccc1)c1cccc(C(C)C(=O)NOC)c1
InChIInChI=1S/C19H22N2O5/c1-13(18(22)20-24-2)15-10-7-11-16(12-15)17(26-19(23)21-25-3)14-8-5-4-6-9-14/h4-13,17H,1-3H3,(H,20,22)(H,21,23)
InChIKeyTXLUVNBOLSPGOX-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.84
Rot. Bonds7

About [[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate

[[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate (PubChem CID 46837462) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate.

Molecular Properties

Compound Name[[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate
PubChem CID46837462
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate
SMILESCONC(=O)OC(c1ccccc1)c1cccc(C(C)C(=O)NOC)c1
InChIInChI=1S/C19H22N2O5/c1-13(18(22)20-24-2)15-10-7-11-16(12-15)17(26-19(23)21-25-3)14-8-5-4-6-9-14/h4-13,17H,1-3H3,(H,20,22)(H,21,23)
InChIKeyTXLUVNBOLSPGOX-UHFFFAOYSA-N
XLogP2.84
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
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 [[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate?
The IUPAC name of [[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate (CID 46837462) is [[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate.
What is the SMILES notation for [[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate?
The canonical SMILES for [[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate is CONC(=O)OC(c1ccccc1)c1cccc(C(C)C(=O)NOC)c1.
What is the InChIKey of [[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate?
The InChIKey is TXLUVNBOLSPGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13(18(22)20-24-2)15-10-7-11-16(12-15)17(26-19(23)21-25-3)14-8-5-4-6-9-14/h4-13,17H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of [[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate?
[[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate has a molecular weight of 358.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[1-(methoxyamino)-1-oxopropan-2-yl]phenyl]-phenylmethyl] N-methoxycarbamate is sourced from PubChem (CID 46837462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).