N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide

C26H26FN3O4 — CID 4576577

IUPACN-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
SMILESCOc1cc(C(C)=NNC(=O)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C26H26FN3O4/c1-16-5-6-17(2)22(13-16)28-25(31)26(32)30-29-18(3)20-9-12-23(24(14-20)33-4)34-15-19-7-10-21(27)11-8-19/h5-14H,15H2,1-4H3,(H,28,31)(H,30,32)
InChIKeyZTNFZXZGLMSDGO-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.51
Rot. Bonds7

About N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide

N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide (PubChem CID 4576577) has the molecular formula C26H26FN3O4 and a molecular weight of 463.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
PubChem CID4576577
Molecular FormulaC26H26FN3O4
Molecular Weight463.51 g/mol
Exact Mass463.19
IUPAC NameN-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
SMILESCOc1cc(C(C)=NNC(=O)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C26H26FN3O4/c1-16-5-6-17(2)22(13-16)28-25(31)26(32)30-29-18(3)20-9-12-23(24(14-20)33-4)34-15-19-7-10-21(27)11-8-19/h5-14H,15H2,1-4H3,(H,28,31)(H,30,32)
InChIKeyZTNFZXZGLMSDGO-UHFFFAOYSA-N
XLogP4.51
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19660559
(E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058331
N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 4110074
N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 19659649
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide
CID 4126333
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
[4-[N-[[2-(5-chloro-2-methoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 4-methylbenzoate
CID 3599300
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659943
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide
CID 5192074
N-(3-chloro-2-methylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 5105677
[4-[(E)-N-[[2-(2-ethoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 2-methylbenzoate
CID 19661363
N-(4-fluorophenyl)-N'-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 4171163

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide (CID 4576577) is N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide is COc1cc(C(C)=NNC(=O)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(F)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The InChIKey is ZTNFZXZGLMSDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4/c1-16-5-6-17(2)22(13-16)28-25(31)26(32)30-29-18(3)20-9-12-23(24(14-20)33-4)34-15-19-7-10-21(27)11-8-19/h5-14H,15H2,1-4H3,(H,28,31)(H,30,32).
What are the key properties of N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide has a molecular weight of 463.51 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide is sourced from PubChem (CID 4576577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).