N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide

C23H26N4O5 — CID 17202138

IUPACN'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1
InChIInChI=1S/C23H26N4O5/c1-5-11-24-22(29)23(30)27-25-13-17-9-10-19(20(12-17)31-4)32-14-21(28)26-18-8-6-7-15(2)16(18)3/h5-10,12-13H,1,11,14H2,2-4H3,(H,24,29)(H,26,28)(H,27,30)/b25-13+
InChIKeyITAYGFCPHKHAIZ-DHRITJCHSA-N
MW438.48 g/mol
LogP2.08
Rot. Bonds9

About N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide

N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide (PubChem CID 17202138) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
PubChem CID17202138
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1
InChIInChI=1S/C23H26N4O5/c1-5-11-24-22(29)23(30)27-25-13-17-9-10-19(20(12-17)31-4)32-14-21(28)26-18-8-6-7-15(2)16(18)3/h5-10,12-13H,1,11,14H2,2-4H3,(H,24,29)(H,26,28)(H,27,30)/b25-13+
InChIKeyITAYGFCPHKHAIZ-DHRITJCHSA-N
XLogP2.08
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126263759
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126181925
N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126174502
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 8990286
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8990276
methyl 2-[4-[[[4-(2,3-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 4243097
N'-[(Z)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126158149
N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931811
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 126181002
N-butyl-N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126166285
N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126163586
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126158302

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide (CID 17202138) is N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1.
What is the InChIKey of N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is ITAYGFCPHKHAIZ-DHRITJCHSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-5-11-24-22(29)23(30)27-25-13-17-9-10-19(20(12-17)31-4)32-14-21(28)26-18-8-6-7-15(2)16(18)3/h5-10,12-13H,1,11,14H2,2-4H3,(H,24,29)(H,26,28)(H,27,30)/b25-13+.
What are the key properties of N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide?
N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 438.48 g/mol, XLogP of 2.08, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 17202138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).