N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide

C24H22ClN3O4 — CID 6028508

IUPACN'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H22ClN3O4/c1-2-31-21-12-10-20(11-13-21)27-23(29)24(30)28-26-15-18-4-3-5-22(14-18)32-16-17-6-8-19(25)9-7-17/h3-15H,2,16H2,1H3,(H,27,29)(H,28,30)/b26-15-
InChIKeyNGTGYKANQXXTPQ-YSMPRRRNSA-N
MW451.91 g/mol
LogP4.41
Rot. Bonds8

About N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide

N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide (PubChem CID 6028508) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
PubChem CID6028508
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC NameN'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H22ClN3O4/c1-2-31-21-12-10-20(11-13-21)27-23(29)24(30)28-26-15-18-4-3-5-22(14-18)32-16-17-6-8-19(25)9-7-17/h3-15H,2,16H2,1H3,(H,27,29)(H,28,30)/b26-15-
InChIKeyNGTGYKANQXXTPQ-YSMPRRRNSA-N
XLogP4.41
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.41
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'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3715481
N-(4-ethylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3300834
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 8932304
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 126165869
N-(3-chloro-2-methylphenyl)-N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4608595
N'-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 19659884
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
N-(4-chlorophenyl)-N'-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6002264
N-(4-chlorophenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4068824
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
N'-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 3856543

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide?
The IUPAC name of N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide (CID 6028508) is N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide?
The InChIKey is NGTGYKANQXXTPQ-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-2-31-21-12-10-20(11-13-21)27-23(29)24(30)28-26-15-18-4-3-5-22(14-18)32-16-17-6-8-19(25)9-7-17/h3-15H,2,16H2,1H3,(H,27,29)(H,28,30)/b26-15-.
What are the key properties of N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide?
N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide has a molecular weight of 451.91 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 6028508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).