N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide

C27H28ClN3O6 — CID 4522719

IUPACN'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC)c(COc3cc(C)c(Cl)c(C)c3)c2)c(OC)c1
InChIInChI=1S/C27H28ClN3O6/c1-16-10-21(11-17(2)25(16)28)37-15-19-12-18(6-9-23(19)35-4)14-29-31-27(33)26(32)30-22-8-7-20(34-3)13-24(22)36-5/h6-14H,15H2,1-5H3,(H,30,32)(H,31,33)
InChIKeySQCJDJKMOWSWQN-UHFFFAOYSA-N
MW525.99 g/mol
LogP4.65
Rot. Bonds9

About N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide

N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide (PubChem CID 4522719) has the molecular formula C27H28ClN3O6 and a molecular weight of 525.99 g/mol. Its IUPAC name is N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
PubChem CID4522719
Molecular FormulaC27H28ClN3O6
Molecular Weight525.99 g/mol
Exact Mass525.17
IUPAC NameN'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC)c(COc3cc(C)c(Cl)c(C)c3)c2)c(OC)c1
InChIInChI=1S/C27H28ClN3O6/c1-16-10-21(11-17(2)25(16)28)37-15-19-12-18(6-9-23(19)35-4)14-29-31-27(33)26(32)30-22-8-7-20(34-3)13-24(22)36-5/h6-14H,15H2,1-5H3,(H,30,32)(H,31,33)
InChIKeySQCJDJKMOWSWQN-UHFFFAOYSA-N
XLogP4.65
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.99
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'-[(E)-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 19660440
N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 4040779
N-(2,4-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 4118036
N-[(Z)-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 6160205
N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3,4,5-trihydroxybenzamide
CID 3582011
N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
CID 5239711
N-(2,4-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661572
N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660577
2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]acetamide
CID 6272239
N-[(Z)-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 98091571
4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
CID 28776247

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide?
The IUPAC name of N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide (CID 4522719) is N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide.
What is the SMILES notation for N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide?
The canonical SMILES for N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC)c(COc3cc(C)c(Cl)c(C)c3)c2)c(OC)c1.
What is the InChIKey of N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide?
The InChIKey is SQCJDJKMOWSWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O6/c1-16-10-21(11-17(2)25(16)28)37-15-19-12-18(6-9-23(19)35-4)14-29-31-27(33)26(32)30-22-8-7-20(34-3)13-24(22)36-5/h6-14H,15H2,1-5H3,(H,30,32)(H,31,33).
What are the key properties of N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide?
N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide has a molecular weight of 525.99 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide is sourced from PubChem (CID 4522719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).