2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

C24H30N4O5 — CID 54525341

IUPAC2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCCOc1ccc(C(=NOC)C(C)=NOCc2ccccc2C(=NOC)C(=O)NC)c(C)c1
InChIInChI=1S/C24H30N4O5/c1-7-32-19-12-13-20(16(2)14-19)22(27-30-5)17(3)26-33-15-18-10-8-9-11-21(18)23(28-31-6)24(29)25-4/h8-14H,7,15H2,1-6H3,(H,25,29)
InChIKeyYSSQTCXSMVNRNJ-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.43
Rot. Bonds11

About 2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 54525341) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID54525341
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCCOc1ccc(C(=NOC)C(C)=NOCc2ccccc2C(=NOC)C(=O)NC)c(C)c1
InChIInChI=1S/C24H30N4O5/c1-7-32-19-12-13-20(16(2)14-19)22(27-30-5)17(3)26-33-15-18-10-8-9-11-21(18)23(28-31-6)24(29)25-4/h8-14H,7,15H2,1-6H3,(H,25,29)
InChIKeyYSSQTCXSMVNRNJ-UHFFFAOYSA-N
XLogP3.43
TPSA103.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
2-methoxyimino-2-[2-[[(3-methoxyimino-4-phenylbutan-2-ylidene)amino]oxymethyl]phenyl]-N-methylacetamide
CID 72611267
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 22419059
(2E)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59898777
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 156812657
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide
CID 91028424
N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide
CID 59033390
2-[2-[(3-chloro-5-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 142647261
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22847652
(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 2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of 2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 54525341) is 2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for 2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for 2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is CCOc1ccc(C(=NOC)C(C)=NOCc2ccccc2C(=NOC)C(=O)NC)c(C)c1.
What is the InChIKey of 2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is YSSQTCXSMVNRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-7-32-19-12-13-20(16(2)14-19)22(27-30-5)17(3)26-33-15-18-10-8-9-11-21(18)23(28-31-6)24(29)25-4/h8-14H,7,15H2,1-6H3,(H,25,29).
What are the key properties of 2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 454.53 g/mol, XLogP of 3.43, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 54525341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).