(2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide

C20H22N4O4 — CID 135713827

IUPAC(2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide
SMILESCCO/N=C(\C(=O)NC(=O)N/C(=N/OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N4O4/c1-3-27-23-17(15-11-7-5-8-12-15)19(25)22-20(26)21-18(24-28-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H2,21,22,24,25,26)/b23-17-
InChIKeyODIPRNGAVWXASA-QJOMJCCJSA-N
MW382.42 g/mol
LogP2.65
Rot. Bonds7

About (2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide

(2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide (PubChem CID 135713827) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is (2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide
PubChem CID135713827
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name(2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide
SMILESCCO/N=C(\C(=O)NC(=O)N/C(=N/OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N4O4/c1-3-27-23-17(15-11-7-5-8-12-15)19(25)22-20(26)21-18(24-28-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H2,21,22,24,25,26)/b23-17-
InChIKeyODIPRNGAVWXASA-QJOMJCCJSA-N
XLogP2.65
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-ethoxyimino-2-phenylacetamide
CID 6063894
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
(2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide
CID 15906772
ethyl N-(C-phenyl-N-pyridin-1-ium-1-ylcarbonimidoyl)carbamate
CID 135460029
methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
CID 135740500
methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-ethoxyimino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 88794796
2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetic acid
CID 53394940
(2E)-2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetic acid
CID 45108226
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium
CID 59896432
(2Z)-2-ethoxyimino-2-(2-methylphenyl)acetamide
CID 155375402

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide?
The IUPAC name of (2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide (CID 135713827) is (2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide.
What is the SMILES notation for (2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide?
The canonical SMILES for (2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide is CCO/N=C(\C(=O)NC(=O)N/C(=N/OCC)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide?
The InChIKey is ODIPRNGAVWXASA-QJOMJCCJSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-3-27-23-17(15-11-7-5-8-12-15)19(25)22-20(26)21-18(24-28-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H2,21,22,24,25,26)/b23-17-.
What are the key properties of (2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide?
(2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide has a molecular weight of 382.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide is sourced from PubChem (CID 135713827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).