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

C21H26N4O3 — CID 137270542

IUPACN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)C2CC(c3ccc(CC)cc3)NN2)c1O
InChIInChI=1S/C21H26N4O3/c1-3-14-8-10-15(11-9-14)17-12-18(24-23-17)21(27)25-22-13-16-6-5-7-19(20(16)26)28-4-2/h5-11,13,17-18,23-24,26H,3-4,12H2,1-2H3,(H,25,27)/b22-13+
InChIKeySQGLLQVRAMMWOS-LPYMAVHISA-N
MW382.46 g/mol
LogP2.41
Rot. Bonds7

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

N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide (PubChem CID 137270542) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide
PubChem CID137270542
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)C2CC(c3ccc(CC)cc3)NN2)c1O
InChIInChI=1S/C21H26N4O3/c1-3-14-8-10-15(11-9-14)17-12-18(24-23-17)21(27)25-22-13-16-6-5-7-19(20(16)26)28-4-2/h5-11,13,17-18,23-24,26H,3-4,12H2,1-2H3,(H,25,27)/b22-13+
InChIKeySQGLLQVRAMMWOS-LPYMAVHISA-N
XLogP2.41
TPSA94.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137271636
5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270504
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 137263386
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137263358
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
CID 3536495
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 135897345
5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 52963464
5-bromo-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135489071
N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 137257958
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137270532

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide (CID 137270542) is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide is CCOc1cccc(/C=N/NC(=O)C2CC(c3ccc(CC)cc3)NN2)c1O.
What is the InChIKey of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is SQGLLQVRAMMWOS-LPYMAVHISA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-14-8-10-15(11-9-14)17-12-18(24-23-17)21(27)25-22-13-16-6-5-7-19(20(16)26)28-4-2/h5-11,13,17-18,23-24,26H,3-4,12H2,1-2H3,(H,25,27)/b22-13+.
What are the key properties of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide?
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.41, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 137270542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).