N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide

C25H25N3O4 — CID 19661771

IUPACN-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C25H25N3O4/c1-3-20-11-7-8-12-21(20)27-24(29)25(30)28-26-16-19-13-14-22(23(15-19)31-2)32-17-18-9-5-4-6-10-18/h4-16H,3,17H2,1-2H3,(H,27,29)(H,28,30)/b26-16+
InChIKeyIWVRSVYMYWKSGE-WGOQTCKBSA-N
MW431.49 g/mol
LogP3.93
Rot. Bonds8

About N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide

N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 19661771) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID19661771
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C25H25N3O4/c1-3-20-11-7-8-12-21(20)27-24(29)25(30)28-26-16-19-13-14-22(23(15-19)31-2)32-17-18-9-5-4-6-10-18/h4-16H,3,17H2,1-2H3,(H,27,29)(H,28,30)/b26-16+
InChIKeyIWVRSVYMYWKSGE-WGOQTCKBSA-N
XLogP3.93
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.93
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'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8901090
N-(2-ethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136864574
N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126262196
N'-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8900433
N'-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 5152754
N'-[(Z)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126274175
N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126170289
N'-[(E)-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 19658408
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
N'-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6910290
N-(2-ethylphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3643210
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 5335817

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide (CID 19661771) is N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide is CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is IWVRSVYMYWKSGE-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-3-20-11-7-8-12-21(20)27-24(29)25(30)28-26-16-19-13-14-22(23(15-19)31-2)32-17-18-9-5-4-6-10-18/h4-16H,3,17H2,1-2H3,(H,27,29)(H,28,30)/b26-16+.
What are the key properties of N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide?
N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 431.49 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 19661771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).