N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide

C27H29N3O6 — CID 19661521

IUPACN-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)ccc1OCc1cccc(C)c1
InChIInChI=1S/C27H29N3O6/c1-5-35-25-14-19(9-11-24(25)36-17-20-8-6-7-18(2)13-20)16-28-30-27(32)26(31)29-22-15-21(33-3)10-12-23(22)34-4/h6-16H,5,17H2,1-4H3,(H,29,31)(H,30,32)/b28-16+
InChIKeyUUFQUYBREKYJRX-LQKURTRISA-N
MW491.54 g/mol
LogP4.08
Rot. Bonds10

About N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide

N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 19661521) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID19661521
Molecular FormulaC27H29N3O6
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC NameN-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)ccc1OCc1cccc(C)c1
InChIInChI=1S/C27H29N3O6/c1-5-35-25-14-19(9-11-24(25)36-17-20-8-6-7-18(2)13-20)16-28-30-27(32)26(31)29-22-15-21(33-3)10-12-23(22)34-4/h6-16H,5,17H2,1-4H3,(H,29,31)(H,30,32)/b28-16+
InChIKeyUUFQUYBREKYJRX-LQKURTRISA-N
XLogP4.08
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.08
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-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4188628
N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 19660242
N-(2-chlorophenyl)-N'-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3275320
N-(3,4-dichlorophenyl)-N'-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5237961
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661133
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 5335817
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4053036
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8900943
N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3373241
1-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5092049
N-(4-methoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5077102
N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 4207869

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide (CID 19661521) is N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide is CCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)ccc1OCc1cccc(C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is UUFQUYBREKYJRX-LQKURTRISA-N. The full InChI is InChI=1S/C27H29N3O6/c1-5-35-25-14-19(9-11-24(25)36-17-20-8-6-7-18(2)13-20)16-28-30-27(32)26(31)29-22-15-21(33-3)10-12-23(22)34-4/h6-16H,5,17H2,1-4H3,(H,29,31)(H,30,32)/b28-16+.
What are the key properties of N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 491.54 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 19661521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).