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

C20H23N3O4 — CID 3986274

IUPACN'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
SMILESCCOc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-27-18-8-4-15(5-9-18)14-21-23-20(25)13-12-19(24)22-16-6-10-17(26-2)11-7-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHDPDLMLDYNIYEF-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.96
Rot. Bonds9

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

N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide (PubChem CID 3986274) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
PubChem CID3986274
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
SMILESCCOc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-27-18-8-4-15(5-9-18)14-21-23-20(25)13-12-19(24)22-16-6-10-17(26-2)11-7-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHDPDLMLDYNIYEF-UHFFFAOYSA-N
XLogP2.96
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4557774
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
methyl 4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 4599912
ethyl 2-[4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]propanoate
CID 3308394
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 4540301
methyl 2-[2-ethoxy-4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 4019862
ethyl 2-[2-ethoxy-4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3669831
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4540205
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide
CID 4272278

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide?
The IUPAC name of N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide (CID 3986274) is N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide.
What is the SMILES notation for N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide?
The canonical SMILES for N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide is CCOc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide?
The InChIKey is HDPDLMLDYNIYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-27-18-8-4-15(5-9-18)14-21-23-20(25)13-12-19(24)22-16-6-10-17(26-2)11-7-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide?
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide has a molecular weight of 369.42 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide is sourced from PubChem (CID 3986274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).