[(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate

C18H18N4O4 — CID 54606273

IUPAC[(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate
SMILESCNC(=O)O/N=C(C(=N\OC(=O)NC)\c1ccccc1)/c1ccccc1
InChIInChI=1S/C18H18N4O4/c1-19-17(23)25-21-15(13-9-5-3-6-10-13)16(22-26-18(24)20-2)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,19,23)(H,20,24)/b21-15-,22-16+
InChIKeyHUAZYUSLGJMPSX-KBNZVFGVSA-N
MW354.37 g/mol
LogP2.51
Rot. Bonds5

About [(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate

[(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate (PubChem CID 54606273) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is [(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate.

Molecular Properties

Compound Name[(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate
PubChem CID54606273
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name[(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate
SMILESCNC(=O)O/N=C(C(=N\OC(=O)NC)\c1ccccc1)/c1ccccc1
InChIInChI=1S/C18H18N4O4/c1-19-17(23)25-21-15(13-9-5-3-6-10-13)16(22-26-18(24)20-2)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,19,23)(H,20,24)/b21-15-,22-16+
InChIKeyHUAZYUSLGJMPSX-KBNZVFGVSA-N
XLogP2.51
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate?
The IUPAC name of [(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate (CID 54606273) is [(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate.
What is the SMILES notation for [(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate?
The canonical SMILES for [(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate is CNC(=O)O/N=C(C(=N\OC(=O)NC)\c1ccccc1)/c1ccccc1.
What is the InChIKey of [(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate?
The InChIKey is HUAZYUSLGJMPSX-KBNZVFGVSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-19-17(23)25-21-15(13-9-5-3-6-10-13)16(22-26-18(24)20-2)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,19,23)(H,20,24)/b21-15-,22-16+.
What are the key properties of [(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate?
[(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate has a molecular weight of 354.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2Z)-2-(methylcarbamoyloxyimino)-1,2-diphenylethylidene]amino] N-methylcarbamate is sourced from PubChem (CID 54606273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).