(3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate

C21H23NO4 — CID 56983106

IUPAC(3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCONC=C1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C
InChIInChI=1S/C21H23NO4/c1-21(2)18(13-22-24-3)19(21)20(23)25-14-15-8-7-11-17(12-15)26-16-9-5-4-6-10-16/h4-13,19,22H,14H2,1-3H3
InChIKeyYOZNICCQCKMONY-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.21
Rot. Bonds7

About (3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate

(3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 56983106) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID56983106
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCONC=C1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C
InChIInChI=1S/C21H23NO4/c1-21(2)18(13-22-24-3)19(21)20(23)25-14-15-8-7-11-17(12-15)26-16-9-5-4-6-10-16/h4-13,19,22H,14H2,1-3H3
InChIKeyYOZNICCQCKMONY-UHFFFAOYSA-N
XLogP4.21
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-phenoxyphenyl)methyl (1S)-3-[(cyclopentyloxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
CID 57010630
(3-phenoxyphenyl)methyl 2-(2-methoxyprop-1-enyl)-3-methylcyclopropane-1-carboxylate
CID 70559134
3-[(1S,3R)-2,2-dimethyl-3-[(3-phenoxyphenyl)methoxycarbonyl]cyclopropyl]prop-2-enoic acid
CID 54325367
(3-phenoxyphenyl)methyl N-methylcarbamate
CID 23548707
(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 42640558
(3-phenoxyphenyl)methyl (E)-2-methylbut-2-enoate
CID 91740752
(3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate
CID 140969500
3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride;(3-phenoxyphenyl)methanol;(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 157120524
[cyano-(3-phenoxyphenyl)methyl] (1S)-3-[(cyclopentyloxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
CID 57141917
(3-phenoxyphenyl)methyl 2,3-dichloro-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylate
CID 13044731
(3-phenoxyphenyl)methyl 3-(1-cyano-2-phenylethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 54012056
trans-(3-phenoxyphenyl)methyl (1R,3S)-3-(3-tert-butylsulfanyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 57018271

Frequently Asked Questions

What is the IUPAC name of (3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of (3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate (CID 56983106) is (3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for (3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for (3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate is CONC=C1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C.
What is the InChIKey of (3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is YOZNICCQCKMONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-21(2)18(13-22-24-3)19(21)20(23)25-14-15-8-7-11-17(12-15)26-16-9-5-4-6-10-16/h4-13,19,22H,14H2,1-3H3.
What are the key properties of (3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate?
(3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxyphenyl)methyl 3-[(methoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 56983106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).