ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate

C20H20N2O5 — CID 102404707

IUPACethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate
SMILESCCOC(=O)N(/N=C(/C(=O)c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C20H20N2O5/c1-3-26-19(24)22(20(25)27-4-2)21-17(15-11-7-5-8-12-15)18(23)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b21-17+
InChIKeyUYCLPWFIPWUTNN-HEHNFIMWSA-N
MW368.39 g/mol
LogP3.89
Rot. Bonds6

About ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate

ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate (PubChem CID 102404707) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate.

Molecular Properties

Compound Nameethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate
PubChem CID102404707
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Nameethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate
SMILESCCOC(=O)N(/N=C(/C(=O)c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C20H20N2O5/c1-3-26-19(24)22(20(25)27-4-2)21-17(15-11-7-5-8-12-15)18(23)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b21-17+
InChIKeyUYCLPWFIPWUTNN-HEHNFIMWSA-N
XLogP3.89
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylhydrazinylidene)-1,2-diphenylethanone
CID 73182544
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ethyl N-hydroxy-2-oxo-2-phenylethanimidate
CID 163663046
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
(2Z)-2-ethoxyimino-2-phenylacetamide
CID 6063894
[ethoxycarbonyl(propyl)amino] benzoate
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CID 23651793
CID 158970570
CID 158970570
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
diethyl (Z)-2-benzoylbut-2-enedioate
CID 12750314
ethyl 2-phenyliminoacetate
CID 7095267

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate?
The IUPAC name of ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate (CID 102404707) is ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate.
What is the SMILES notation for ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate?
The canonical SMILES for ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate is CCOC(=O)N(/N=C(/C(=O)c1ccccc1)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate?
The InChIKey is UYCLPWFIPWUTNN-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-3-26-19(24)22(20(25)27-4-2)21-17(15-11-7-5-8-12-15)18(23)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b21-17+.
What are the key properties of ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate?
ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate has a molecular weight of 368.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate is sourced from PubChem (CID 102404707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).