N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide

C24H24Br2N4O4 — CID 4097295

IUPACN,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide
SMILESC=CCOc1ccc(Br)cc1C=NNC(=O)CCC(=O)NN=Cc1cc(Br)ccc1OCC=C
InChIInChI=1S/C24H24Br2N4O4/c1-3-11-33-21-7-5-19(25)13-17(21)15-27-29-23(31)9-10-24(32)30-28-16-18-14-20(26)6-8-22(18)34-12-4-2/h3-8,13-16H,1-2,9-12H2,(H,29,31)(H,30,32)
InChIKeyULNINHFJUKFIIQ-UHFFFAOYSA-N
MW592.29 g/mol
LogP4.72
Rot. Bonds13

About N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide

N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide (PubChem CID 4097295) has the molecular formula C24H24Br2N4O4 and a molecular weight of 592.29 g/mol. Its IUPAC name is N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide
PubChem CID4097295
Molecular FormulaC24H24Br2N4O4
Molecular Weight592.29 g/mol
Exact Mass590.02
IUPAC NameN,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide
SMILESC=CCOc1ccc(Br)cc1C=NNC(=O)CCC(=O)NN=Cc1cc(Br)ccc1OCC=C
InChIInChI=1S/C24H24Br2N4O4/c1-3-11-33-21-7-5-19(25)13-17(21)15-27-29-23(31)9-10-24(32)30-28-16-18-14-20(26)6-8-22(18)34-12-4-2/h3-8,13-16H,1-2,9-12H2,(H,29,31)(H,30,32)
InChIKeyULNINHFJUKFIIQ-UHFFFAOYSA-N
XLogP4.72
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.29
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 126366009
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
N,N'-bis[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 6021856
N,N'-bis[(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 4149823
1-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-3-ethylthiourea
CID 4547863
[2-[[[4-[(2E)-2-[(2-benzoyloxy-5-bromophenyl)methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate
CID 125115444
N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510
N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
CID 51062342
N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6263316
N'-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4092508
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126321514
N-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 3971940

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide (CID 4097295) is N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide is C=CCOc1ccc(Br)cc1C=NNC(=O)CCC(=O)NN=Cc1cc(Br)ccc1OCC=C.
What is the InChIKey of N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide?
The InChIKey is ULNINHFJUKFIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Br2N4O4/c1-3-11-33-21-7-5-19(25)13-17(21)15-27-29-23(31)9-10-24(32)30-28-16-18-14-20(26)6-8-22(18)34-12-4-2/h3-8,13-16H,1-2,9-12H2,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide?
N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide has a molecular weight of 592.29 g/mol, XLogP of 4.72, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 4097295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).