N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide

C24H30N4O6 — CID 6018005

IUPACN,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
SMILESCCOc1ccc(/C=N\NC(=O)CCC(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1OC
InChIInChI=1S/C24H30N4O6/c1-5-33-19-9-7-17(13-21(19)31-3)15-25-27-23(29)11-12-24(30)28-26-16-18-8-10-20(34-6-2)22(14-18)32-4/h7-10,13-16H,5-6,11-12H2,1-4H3,(H,27,29)(H,28,30)/b25-15-,26-16-
InChIKeyIHDRXWSUURQEPM-YXHOTNNGSA-N
MW470.53 g/mol
LogP2.88
Rot. Bonds13

About N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide

N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide (PubChem CID 6018005) has the molecular formula C24H30N4O6 and a molecular weight of 470.53 g/mol. Its IUPAC name is N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
PubChem CID6018005
Molecular FormulaC24H30N4O6
Molecular Weight470.53 g/mol
Exact Mass470.22
IUPAC NameN,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
SMILESCCOc1ccc(/C=N\NC(=O)CCC(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1OC
InChIInChI=1S/C24H30N4O6/c1-5-33-19-9-7-17(13-21(19)31-3)15-25-27-23(29)11-12-24(30)28-26-16-18-8-10-20(34-6-2)22(14-18)32-4/h7-10,13-16H,5-6,11-12H2,1-4H3,(H,27,29)(H,28,30)/b25-15-,26-16-
InChIKeyIHDRXWSUURQEPM-YXHOTNNGSA-N
XLogP2.88
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4557774
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 7342212
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 2590100
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)butanamide
CID 6047418
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977
2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 2853456

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide (CID 6018005) is N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide is CCOc1ccc(/C=N\NC(=O)CCC(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1OC.
What is the InChIKey of N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide?
The InChIKey is IHDRXWSUURQEPM-YXHOTNNGSA-N. The full InChI is InChI=1S/C24H30N4O6/c1-5-33-19-9-7-17(13-21(19)31-3)15-25-27-23(29)11-12-24(30)28-26-16-18-8-10-20(34-6-2)22(14-18)32-4/h7-10,13-16H,5-6,11-12H2,1-4H3,(H,27,29)(H,28,30)/b25-15-,26-16-.
What are the key properties of N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide?
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide has a molecular weight of 470.53 g/mol, XLogP of 2.88, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 6018005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).