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

C23H28N4O6 — CID 6004946

IUPACN,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1ccc(/C=N\NC(=O)CC(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1OC
InChIInChI=1S/C23H28N4O6/c1-5-32-18-9-7-16(11-20(18)30-3)14-24-26-22(28)13-23(29)27-25-15-17-8-10-19(33-6-2)21(12-17)31-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29)/b24-14-,25-15-
InChIKeyZIAJQRWBYATAGE-MQDDAKQZSA-N
MW456.50 g/mol
LogP2.49
Rot. Bonds12

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

N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide (PubChem CID 6004946) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
PubChem CID6004946
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC NameN,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1ccc(/C=N\NC(=O)CC(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1OC
InChIInChI=1S/C23H28N4O6/c1-5-32-18-9-7-16(11-20(18)30-3)14-24-26-22(28)13-23(29)27-25-15-17-8-10-19(33-6-2)21(12-17)31-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29)/b24-14-,25-15-
InChIKeyZIAJQRWBYATAGE-MQDDAKQZSA-N
XLogP2.49
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 7342212
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 2590100
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3945217
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4557774
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
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide (CID 6004946) is N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide is CCOc1ccc(/C=N\NC(=O)CC(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1OC.
What is the InChIKey of N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide?
The InChIKey is ZIAJQRWBYATAGE-MQDDAKQZSA-N. The full InChI is InChI=1S/C23H28N4O6/c1-5-32-18-9-7-16(11-20(18)30-3)14-24-26-22(28)13-23(29)27-25-15-17-8-10-19(33-6-2)21(12-17)31-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29)/b24-14-,25-15-.
What are the key properties of N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide?
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide has a molecular weight of 456.50 g/mol, XLogP of 2.49, 12 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]propanediamide is sourced from PubChem (CID 6004946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).