N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide

C26H28N4O4 — CID 137271636

IUPACN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)C2CC(c3ccc(OCc4ccccc4)cc3)NN2)c1O
InChIInChI=1S/C26H28N4O4/c1-2-33-24-10-6-9-20(25(24)31)16-27-30-26(32)23-15-22(28-29-23)19-11-13-21(14-12-19)34-17-18-7-4-3-5-8-18/h3-14,16,22-23,28-29,31H,2,15,17H2,1H3,(H,30,32)/b27-16+
InChIKeyOGONCXZIEWDTHK-JVWAILMASA-N
MW460.53 g/mol
LogP3.43
Rot. Bonds9

About N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide

N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 137271636) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID137271636
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)C2CC(c3ccc(OCc4ccccc4)cc3)NN2)c1O
InChIInChI=1S/C26H28N4O4/c1-2-33-24-10-6-9-20(25(24)31)16-27-30-26(32)23-15-22(28-29-23)19-11-13-21(14-12-19)34-17-18-7-4-3-5-8-18/h3-14,16,22-23,28-29,31H,2,15,17H2,1H3,(H,30,32)/b27-16+
InChIKeyOGONCXZIEWDTHK-JVWAILMASA-N
XLogP3.43
TPSA104.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide
CID 137270542
N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137270532
5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270504
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135679375
5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137263358
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-[4-[(2-chlorophenyl)methoxy]phenyl]pyrazolidine-3-carboxamide
CID 137272179
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 137263386
5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide
CID 137272186
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
5-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 137265109
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290
2-(4-ethoxyanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6118655

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide (CID 137271636) is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide is CCOc1cccc(/C=N/NC(=O)C2CC(c3ccc(OCc4ccccc4)cc3)NN2)c1O.
What is the InChIKey of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is OGONCXZIEWDTHK-JVWAILMASA-N. The full InChI is InChI=1S/C26H28N4O4/c1-2-33-24-10-6-9-20(25(24)31)16-27-30-26(32)23-15-22(28-29-23)19-11-13-21(14-12-19)34-17-18-7-4-3-5-8-18/h3-14,16,22-23,28-29,31H,2,15,17H2,1H3,(H,30,32)/b27-16+.
What are the key properties of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide?
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.43, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 137271636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).