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

C24H26N4O4 — CID 6003774

IUPACN,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
SMILESC=CCOc1ccccc1/C=N\NC(=O)CCC(=O)N/N=C\c1ccccc1OCC=C
InChIInChI=1S/C24H26N4O4/c1-3-15-31-21-11-7-5-9-19(21)17-25-27-23(29)13-14-24(30)28-26-18-20-10-6-8-12-22(20)32-16-4-2/h3-12,17-18H,1-2,13-16H2,(H,27,29)(H,28,30)/b25-17-,26-18-
InChIKeyMVROYCWWPAZHFK-MFYXSQMNSA-N
MW434.50 g/mol
LogP3.20
Rot. Bonds13

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

N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide (PubChem CID 6003774) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
PubChem CID6003774
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
SMILESC=CCOc1ccccc1/C=N\NC(=O)CCC(=O)N/N=C\c1ccccc1OCC=C
InChIInChI=1S/C24H26N4O4/c1-3-15-31-21-11-7-5-9-19(21)17-25-27-23(29)13-14-24(30)28-26-18-20-10-6-8-12-22(20)32-16-4-2/h3-12,17-18H,1-2,13-16H2,(H,27,29)(H,28,30)/b25-17-,26-18-
InChIKeyMVROYCWWPAZHFK-MFYXSQMNSA-N
XLogP3.20
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.20
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'}

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Related Compounds

N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
CID 45054649
2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5131254
2-(2-methylphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2251128
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
2-(2,6-dimethylphenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 54788834
N,N'-bis[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 4097295
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393
2-(4-butoxyphenoxy)-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 6265120
2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5081383
2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5334217

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide (CID 6003774) is N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide is C=CCOc1ccccc1/C=N\NC(=O)CCC(=O)N/N=C\c1ccccc1OCC=C.
What is the InChIKey of N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide?
The InChIKey is MVROYCWWPAZHFK-MFYXSQMNSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-3-15-31-21-11-7-5-9-19(21)17-25-27-23(29)13-14-24(30)28-26-18-20-10-6-8-12-22(20)32-16-4-2/h3-12,17-18H,1-2,13-16H2,(H,27,29)(H,28,30)/b25-17-,26-18-.
What are the key properties of N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide?
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide has a molecular weight of 434.50 g/mol, XLogP of 3.20, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 6003774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).