methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate

C19H21N3O4 — CID 54258204

IUPACmethyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate
SMILESCNC(=O)C(=NOC)c1ccccc1C(=NOCc1ccccc1)OC
InChIInChI=1S/C19H21N3O4/c1-20-18(23)17(21-25-3)15-11-7-8-12-16(15)19(24-2)22-26-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,23)
InChIKeyRBODPVXGPIPMPJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.31
Rot. Bonds7

About methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate

methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate (PubChem CID 54258204) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate.

Molecular Properties

Compound Namemethyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate
PubChem CID54258204
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namemethyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate
SMILESCNC(=O)C(=NOC)c1ccccc1C(=NOCc1ccccc1)OC
InChIInChI=1S/C19H21N3O4/c1-20-18(23)17(21-25-3)15-11-7-8-12-16(15)19(24-2)22-26-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,23)
InChIKeyRBODPVXGPIPMPJ-UHFFFAOYSA-N
XLogP2.31
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
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

2-methoxyimino-2-[2-[[(3-methoxyimino-4-phenylbutan-2-ylidene)amino]oxymethyl]phenyl]-N-methylacetamide
CID 72611267
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
(2E)-2-[3-ethenyl-2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 157024023
2-methoxyimino-N-methyl-2-[2-(4-phenoxyphenoxy)phenyl]acetamide
CID 54359900
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
2-[2-[[[(1Z)-1-(4-fluorophenyl)-1-methoxyiminobutan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59041141
(2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide
CID 91028424
methyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
CID 10868261
(2E)-2-[2-[[(E)-1-(3-chlorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 156812660

Frequently Asked Questions

What is the IUPAC name of methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate?
The IUPAC name of methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate (CID 54258204) is methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate.
What is the SMILES notation for methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate?
The canonical SMILES for methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate is CNC(=O)C(=NOC)c1ccccc1C(=NOCc1ccccc1)OC.
What is the InChIKey of methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate?
The InChIKey is RBODPVXGPIPMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-20-18(23)17(21-25-3)15-11-7-8-12-16(15)19(24-2)22-26-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,23).
What are the key properties of methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate?
methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate has a molecular weight of 355.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[N-methoxy-C-(methylcarbamoyl)carbonimidoyl]-N-phenylmethoxybenzenecarboximidate is sourced from PubChem (CID 54258204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).