methyl 2-(benzhydrylideneamino)-2-methylpropanoate

C18H19NO2 — CID 54247247

IUPACmethyl 2-(benzhydrylideneamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-18(2,17(20)21-3)19-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyQUDDYOSEYHEEPE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.48
Rot. Bonds4

About methyl 2-(benzhydrylideneamino)-2-methylpropanoate

methyl 2-(benzhydrylideneamino)-2-methylpropanoate (PubChem CID 54247247) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 2-(benzhydrylideneamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(benzhydrylideneamino)-2-methylpropanoate
PubChem CID54247247
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-(benzhydrylideneamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-18(2,17(20)21-3)19-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyQUDDYOSEYHEEPE-UHFFFAOYSA-N
XLogP3.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzhydrylideneamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(benzhydrylideneamino)-2-methylpropanoate (CID 54247247) is methyl 2-(benzhydrylideneamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(benzhydrylideneamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(benzhydrylideneamino)-2-methylpropanoate is COC(=O)C(C)(C)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(benzhydrylideneamino)-2-methylpropanoate?
The InChIKey is QUDDYOSEYHEEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2,17(20)21-3)19-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3.
What are the key properties of methyl 2-(benzhydrylideneamino)-2-methylpropanoate?
methyl 2-(benzhydrylideneamino)-2-methylpropanoate has a molecular weight of 281.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzhydrylideneamino)-2-methylpropanoate is sourced from PubChem (CID 54247247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).