(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide

C20H25N5O3 — CID 135599769

IUPAC(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide
SMILESCOc1ccc(/C=N/N=C(C)/C(=N/c2ccc(N(C)C)cc2)NO)c(OC)c1
InChIInChI=1S/C20H25N5O3/c1-14(20(24-26)22-16-7-9-17(10-8-16)25(2)3)23-21-13-15-6-11-18(27-4)12-19(15)28-5/h6-13,26H,1-5H3,(H,22,24)/b21-13+,23-14+
InChIKeyKFGXKVXIDIUORW-WFTGYDCDSA-N
MW383.45 g/mol
LogP3.27
Rot. Bonds7

About (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide

(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide (PubChem CID 135599769) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide.

Molecular Properties

Compound Name(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide
PubChem CID135599769
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide
SMILESCOc1ccc(/C=N/N=C(C)/C(=N/c2ccc(N(C)C)cc2)NO)c(OC)c1
InChIInChI=1S/C20H25N5O3/c1-14(20(24-26)22-16-7-9-17(10-8-16)25(2)3)23-21-13-15-6-11-18(27-4)12-19(15)28-5/h6-13,26H,1-5H3,(H,22,24)/b21-13+,23-14+
InChIKeyKFGXKVXIDIUORW-WFTGYDCDSA-N
XLogP3.27
TPSA91.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide?
The IUPAC name of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide (CID 135599769) is (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide.
What is the SMILES notation for (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide?
The canonical SMILES for (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide is COc1ccc(/C=N/N=C(C)/C(=N/c2ccc(N(C)C)cc2)NO)c(OC)c1.
What is the InChIKey of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide?
The InChIKey is KFGXKVXIDIUORW-WFTGYDCDSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14(20(24-26)22-16-7-9-17(10-8-16)25(2)3)23-21-13-15-6-11-18(27-4)12-19(15)28-5/h6-13,26H,1-5H3,(H,22,24)/b21-13+,23-14+.
What are the key properties of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide?
(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide has a molecular weight of 383.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-[4-(dimethylamino)phenyl]-N-hydroxypropanimidamide is sourced from PubChem (CID 135599769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).