N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide

C22H27N3O5 — CID 4557774

IUPACN'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(OCC)c(OC)c2)cc1
InChIInChI=1S/C22H27N3O5/c1-4-29-18-9-7-17(8-10-18)24-21(26)12-13-22(27)25-23-15-16-6-11-19(30-5-2)20(14-16)28-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyPYUHVFXFNRDLAW-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.36
Rot. Bonds11

About N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide

N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide (PubChem CID 4557774) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
PubChem CID4557774
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(OCC)c(OC)c2)cc1
InChIInChI=1S/C22H27N3O5/c1-4-29-18-9-7-17(8-10-18)24-21(26)12-13-22(27)25-23-15-16-6-11-19(30-5-2)20(14-16)28-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyPYUHVFXFNRDLAW-UHFFFAOYSA-N
XLogP3.36
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]butanediamide
CID 6018005
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 4540301
N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3373241
methyl 2-[2-ethoxy-4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 4019862
N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide
CID 4272278
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
ethyl 2-[2-ethoxy-4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3669831
2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 9017322
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4540205
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)butanamide
CID 6047418
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3961761

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide?
The IUPAC name of N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide (CID 4557774) is N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide.
What is the SMILES notation for N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide?
The canonical SMILES for N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide is CCOc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(OCC)c(OC)c2)cc1.
What is the InChIKey of N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide?
The InChIKey is PYUHVFXFNRDLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-4-29-18-9-7-17(8-10-18)24-21(26)12-13-22(27)25-23-15-16-6-11-19(30-5-2)20(14-16)28-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide?
N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide has a molecular weight of 413.47 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide is sourced from PubChem (CID 4557774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).