N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide

C22H28N2O4 — CID 19182762

IUPACN-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
SMILESCCCCOc1ccc(/C=N/NC(=O)COc2cccc(CC)c2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-4-6-12-27-20-11-10-18(14-21(20)26-3)15-23-24-22(25)16-28-19-9-7-8-17(5-2)13-19/h7-11,13-15H,4-6,12,16H2,1-3H3,(H,24,25)/b23-15+
InChIKeyGZAKEJNVZBNACT-HZHRSRAPSA-N
MW384.48 g/mol
LogP3.97
Rot. Bonds11

About N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide

N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide (PubChem CID 19182762) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
PubChem CID19182762
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
SMILESCCCCOc1ccc(/C=N/NC(=O)COc2cccc(CC)c2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-4-6-12-27-20-11-10-18(14-21(20)26-3)15-23-24-22(25)16-28-19-9-7-8-17(5-2)13-19/h7-11,13-15H,4-6,12,16H2,1-3H3,(H,24,25)/b23-15+
InChIKeyGZAKEJNVZBNACT-HZHRSRAPSA-N
XLogP3.97
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 19182426
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 6261178
N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 19190427
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19190055
[4-[(Z)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6020753
2-(3-chlorophenoxy)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 7039258
N-[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515387
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190069
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679
methyl N-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 9075566
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 6874166
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide?
The IUPAC name of N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide (CID 19182762) is N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide is CCCCOc1ccc(/C=N/NC(=O)COc2cccc(CC)c2)cc1OC.
What is the InChIKey of N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide?
The InChIKey is GZAKEJNVZBNACT-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-6-12-27-20-11-10-18(14-21(20)26-3)15-23-24-22(25)16-28-19-9-7-8-17(5-2)13-19/h7-11,13-15H,4-6,12,16H2,1-3H3,(H,24,25)/b23-15+.
What are the key properties of N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide?
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.97, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide is sourced from PubChem (CID 19182762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).