2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide

C20H24N4O4 — CID 6876207

IUPAC2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H24N4O4/c1-4-27-18-10-15(11-22-24-20(21)26)6-8-17(18)28-12-19(25)23-16-7-5-13(2)14(3)9-16/h5-11H,4,12H2,1-3H3,(H,23,25)(H3,21,24,26)/b22-11+
InChIKeyYGNMBGYGJQQXJF-SSDVNMTOSA-N
MW384.44 g/mol
LogP2.72
Rot. Bonds8

About 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide

2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 6876207) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
PubChem CID6876207
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H24N4O4/c1-4-27-18-10-15(11-22-24-20(21)26)6-8-17(18)28-12-19(25)23-16-7-5-13(2)14(3)9-16/h5-11H,4,12H2,1-3H3,(H,23,25)(H3,21,24,26)/b22-11+
InChIKeyYGNMBGYGJQQXJF-SSDVNMTOSA-N
XLogP2.72
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.72
H-Bond Donors ≤ 53
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'}

Analyze 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide (CID 6876207) is 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide is CCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is YGNMBGYGJQQXJF-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-4-27-18-10-15(11-22-24-20(21)26)6-8-17(18)28-12-19(25)23-16-7-5-13(2)14(3)9-16/h5-11H,4,12H2,1-3H3,(H,23,25)(H3,21,24,26)/b22-11+.
What are the key properties of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 6876207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).