benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate

C19H20N2O4 — CID 139626103

IUPACbenzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate
SMILESCC(C)(O/N=C/C(N)=O)C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-19(2,25-21-13-16(20)22)18(23)24-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17H,1-2H3,(H2,20,22)/b21-13+
InChIKeyUIZABXIZFJUVMQ-FYJGNVAPSA-N
MW340.38 g/mol
LogP2.59
Rot. Bonds7

About benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate

benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate (PubChem CID 139626103) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate.

Molecular Properties

Compound Namebenzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate
PubChem CID139626103
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namebenzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate
SMILESCC(C)(O/N=C/C(N)=O)C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-19(2,25-21-13-16(20)22)18(23)24-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17H,1-2H3,(H2,20,22)/b21-13+
InChIKeyUIZABXIZFJUVMQ-FYJGNVAPSA-N
XLogP2.59
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzhydryl 2-[(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate
CID 152757921
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
benzhydryl 2,2,2-triphenylacetate
CID 126186590
benzhydryl acetate;hydrazine
CID 122610283
[(3,3-difluorocyclopropen-1-yl)-phenylmethyl] 2,2-dimethylpropanoate
CID 101483916
benzhydryl 2-hydroxybut-2-enoate
CID 154093504
benzhydryl 2,2-dihydroxyacetate
CID 11076121
dibenzhydryl (E)-but-2-enedioate
CID 19073748
benzhydryl (2S)-2-bromopropanoate
CID 124603852
benzhydryl (2R)-2-chloropropanoate
CID 14524946
benzhydryloxycarbonyliminocarbamic acid
CID 151723533
benzhydryl (2S)-3-hydroxy-2-methyl-2-nitropropanoate
CID 102453901

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate?
The IUPAC name of benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate (CID 139626103) is benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate.
What is the SMILES notation for benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate?
The canonical SMILES for benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate is CC(C)(O/N=C/C(N)=O)C(=O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate?
The InChIKey is UIZABXIZFJUVMQ-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-19(2,25-21-13-16(20)22)18(23)24-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17H,1-2H3,(H2,20,22)/b21-13+.
What are the key properties of benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate?
benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate has a molecular weight of 340.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate is sourced from PubChem (CID 139626103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).