(2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

C22H23N3O3 — CID 24970860

IUPAC(2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C1=Cc2ccccc2C1
InChIInChI=1S/C22H23N3O3/c1-15(19-12-16-8-4-5-9-17(16)13-19)24-28-14-18-10-6-7-11-20(18)21(25-27-3)22(26)23-2/h4-12H,13-14H2,1-3H3,(H,23,26)/b24-15+,25-21+
InChIKeyHFHHFULFAGHDDL-GFUUNDCYSA-N
MW377.44 g/mol
LogP3.32
Rot. Bonds7

About (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

(2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 24970860) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID24970860
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C1=Cc2ccccc2C1
InChIInChI=1S/C22H23N3O3/c1-15(19-12-16-8-4-5-9-17(16)13-19)24-28-14-18-10-6-7-11-20(18)21(25-27-3)22(26)23-2/h4-12H,13-14H2,1-3H3,(H,23,26)/b24-15+,25-21+
InChIKeyHFHHFULFAGHDDL-GFUUNDCYSA-N
XLogP3.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Orysastrobin
CID 11486133
Fenaminstrobin
CID 45380430
(2E)-2-[2-[[(E)-1-(6-fluoro-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970861
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 24970862
(2E)-2-[2-[[(E)-1-(5-fluoro-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970863
(2E)-2-[2-[[(E)-1-(4-chloro-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970864
(2E)-2-[2-[[(E)-1-(6-chloro-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970917
(2E)-2-[2-[[(E)-1-(5-chloro-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970918
methyl (1Z)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-3,5-bis(trifluoromethyl)benzenecarboximidothioate
CID 25022799
methyl (1Z)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-3,5-bis(trifluoromethyl)benzenecarboximidate
CID 25023682
2-[2-[[3,4-bis(methoxyimino)pentan-2-ylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 72980153
(2E)-2-methoxyimino-N-methyl-2-[2-[(E)-2-phenylethenyl]phenyl]acetamide
CID 19429869

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 24970860) is (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C1=Cc2ccccc2C1.
What is the InChIKey of (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is HFHHFULFAGHDDL-GFUUNDCYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(19-12-16-8-4-5-9-17(16)13-19)24-28-14-18-10-6-7-11-20(18)21(25-27-3)22(26)23-2/h4-12H,13-14H2,1-3H3,(H,23,26)/b24-15+,25-21+.
What are the key properties of (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
(2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 377.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 24970860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).