N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide

C20H23N3O4 — CID 4264592

IUPACN'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
SMILESCCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C20H23N3O4/c1-3-27-16-8-6-7-15(13-16)14-21-23-20(25)12-11-19(24)22-17-9-4-5-10-18(17)26-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySDAJAXIWQXNFTE-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.96
Rot. Bonds9

About N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide

N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide (PubChem CID 4264592) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
PubChem CID4264592
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
SMILESCCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C20H23N3O4/c1-3-27-16-8-6-7-15(13-16)14-21-23-20(25)12-11-19(24)22-17-9-4-5-10-18(17)26-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySDAJAXIWQXNFTE-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-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide
CID 4022136
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684538
N'-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3623426
N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3539008
N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide
CID 3421421
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135788644
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 4313414
2-(2-ethoxyphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 2425831
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135606237
2-(3-chlorophenoxy)-N-[(E)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126027473
ethyl 2-[3-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3348164
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5401700

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide?
The IUPAC name of N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide (CID 4264592) is N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide.
What is the SMILES notation for N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide?
The canonical SMILES for N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide is CCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2OC)c1.
What is the InChIKey of N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide?
The InChIKey is SDAJAXIWQXNFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-27-16-8-6-7-15(13-16)14-21-23-20(25)12-11-19(24)22-17-9-4-5-10-18(17)26-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide?
N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-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'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide is sourced from PubChem (CID 4264592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).