N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide

C18H18ClN3O4 — CID 3105099

IUPACN-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
SMILESCCOc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2C)ccc1O
InChIInChI=1S/C18H18ClN3O4/c1-3-26-16-9-12(4-7-15(16)23)10-20-22-18(25)17(24)21-14-6-5-13(19)8-11(14)2/h4-10,23H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAPDDOSSJVKTWLN-UHFFFAOYSA-N
MW375.81 g/mol
LogP2.84
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide

N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 3105099) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
PubChem CID3105099
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
SMILESCCOc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2C)ccc1O
InChIInChI=1S/C18H18ClN3O4/c1-3-26-16-9-12(4-7-15(16)23)10-20-22-18(25)17(24)21-14-6-5-13(19)8-11(14)2/h4-10,23H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAPDDOSSJVKTWLN-UHFFFAOYSA-N
XLogP2.84
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4594716
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135756956
N-(3,4-dimethylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135756954
N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 4565395
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 136861867
N-(4-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3969942
N-(2-ethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554201
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6162635
N'-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3371098
N-(2-chlorophenyl)-N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]oxamide
CID 8931980
N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 3102421
N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 136908980

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide (CID 3105099) is N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide is CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2C)ccc1O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is APDDOSSJVKTWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-3-26-16-9-12(4-7-15(16)23)10-20-22-18(25)17(24)21-14-6-5-13(19)8-11(14)2/h4-10,23H,3H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 375.81 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 3105099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).