N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide

C26H26ClN3O4 — CID 4110074

IUPACN'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide
SMILESCOc1cc(C(C)=NNC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H26ClN3O4/c1-16-6-5-7-17(2)24(16)28-25(31)26(32)30-29-18(3)20-10-13-22(23(14-20)33-4)34-15-19-8-11-21(27)12-9-19/h5-14H,15H2,1-4H3,(H,28,31)(H,30,32)
InChIKeyLGIDKBQRTYZPTD-UHFFFAOYSA-N
MW479.96 g/mol
LogP5.02
Rot. Bonds7

About N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide

N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide (PubChem CID 4110074) has the molecular formula C26H26ClN3O4 and a molecular weight of 479.96 g/mol. Its IUPAC name is N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide
PubChem CID4110074
Molecular FormulaC26H26ClN3O4
Molecular Weight479.96 g/mol
Exact Mass479.16
IUPAC NameN'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide
SMILESCOc1cc(C(C)=NNC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H26ClN3O4/c1-16-6-5-7-17(2)24(16)28-25(31)26(32)30-29-18(3)20-10-13-22(23(14-20)33-4)34-15-19-8-11-21(27)12-9-19/h5-14H,15H2,1-4H3,(H,28,31)(H,30,32)
InChIKeyLGIDKBQRTYZPTD-UHFFFAOYSA-N
XLogP5.02
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.96
LogP ≤ 55.02
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
methyl 2-[[2-[2-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 5006934
N-(4-chlorophenyl)-N'-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 19661284
N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 4576577
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659943
N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659972
N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19658163
[2-methoxy-4-[N-[[2-(2-methoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate
CID 4168814
N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19658627
N-(4-carbamoylphenyl)-N'-[1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 3523967
[4-[(E)-N-[[2-(4-chloroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 19661211
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide
CID 4126333

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide?
The IUPAC name of N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide (CID 4110074) is N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide.
What is the SMILES notation for N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide?
The canonical SMILES for N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide is COc1cc(C(C)=NNC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide?
The InChIKey is LGIDKBQRTYZPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O4/c1-16-6-5-7-17(2)24(16)28-25(31)26(32)30-29-18(3)20-10-13-22(23(14-20)33-4)34-15-19-8-11-21(27)12-9-19/h5-14H,15H2,1-4H3,(H,28,31)(H,30,32).
What are the key properties of N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide?
N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide has a molecular weight of 479.96 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide is sourced from PubChem (CID 4110074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).