(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide

C23H25N3O3 — CID 24970862

IUPAC(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C1=Cc2ccc(C)cc2C1
InChIInChI=1S/C23H25N3O3/c1-15-9-10-17-12-19(13-20(17)11-15)16(2)25-29-14-18-7-5-6-8-21(18)22(26-28-4)23(27)24-3/h5-12H,13-14H2,1-4H3,(H,24,27)/b25-16+,26-22+
InChIKeyZTHVIPZCTJOCMN-LKZVIGDNSA-N
MW391.47 g/mol
LogP3.62
Rot. Bonds7

About (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide

(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide (PubChem CID 24970862) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide
PubChem CID24970862
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C1=Cc2ccc(C)cc2C1
InChIInChI=1S/C23H25N3O3/c1-15-9-10-17-12-19(13-20(17)11-15)16(2)25-29-14-18-7-5-6-8-21(18)22(26-28-4)23(27)24-3/h5-12H,13-14H2,1-4H3,(H,24,27)/b25-16+,26-22+
InChIKeyZTHVIPZCTJOCMN-LKZVIGDNSA-N
XLogP3.62
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.62
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
(2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970860
(2E)-2-[2-[[(E)-1-(6-fluoro-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970861
(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
2-[2-[[(E)-1-(4-tert-butylphenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxy-N-methylacetamide
CID 76308843
2-methoxy-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 76312548

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide?
The IUPAC name of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide (CID 24970862) is (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide.
What is the SMILES notation for (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide?
The canonical SMILES for (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide is CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C1=Cc2ccc(C)cc2C1.
What is the InChIKey of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide?
The InChIKey is ZTHVIPZCTJOCMN-LKZVIGDNSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-9-10-17-12-19(13-20(17)11-15)16(2)25-29-14-18-7-5-6-8-21(18)22(26-28-4)23(27)24-3/h5-12H,13-14H2,1-4H3,(H,24,27)/b25-16+,26-22+.
What are the key properties of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide?
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 24970862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).