N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide

C20H20ClN3O4 — CID 17201844

IUPACN'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C20H20ClN3O4/c1-3-10-22-19(25)20(26)24-23-12-14-8-9-17(18(11-14)27-2)28-13-15-6-4-5-7-16(15)21/h3-9,11-12H,1,10,13H2,2H3,(H,22,25)(H,24,26)/b23-12+
InChIKeyXXPIFNPWKISYFY-FSJBWODESA-N
MW401.85 g/mol
LogP2.68
Rot. Bonds8

About N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide

N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide (PubChem CID 17201844) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
PubChem CID17201844
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC NameN'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C20H20ClN3O4/c1-3-10-22-19(25)20(26)24-23-12-14-8-9-17(18(11-14)27-2)28-13-15-6-4-5-7-16(15)21/h3-9,11-12H,1,10,13H2,2H3,(H,22,25)(H,24,26)/b23-12+
InChIKeyXXPIFNPWKISYFY-FSJBWODESA-N
XLogP2.68
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.68
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126181925
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
CID 3611008
N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931811
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4094540
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8990276
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
4-chloro-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 19169715
4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 3918813
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-cyanoacetamide
CID 5350121
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126370963
N-[(E)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126339226
2-amino-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340971

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide (CID 17201844) is N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1.
What is the InChIKey of N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is XXPIFNPWKISYFY-FSJBWODESA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-3-10-22-19(25)20(26)24-23-12-14-8-9-17(18(11-14)27-2)28-13-15-6-4-5-7-16(15)21/h3-9,11-12H,1,10,13H2,2H3,(H,22,25)(H,24,26)/b23-12+.
What are the key properties of N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide?
N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 401.85 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 17201844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).