N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide

C25H36N4O3 — CID 137136949

IUPACN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide
SMILESCCOc1cccc(/C=N/NC(=O)CN(C)CCN(C)Cc2ccc(C(C)C)cc2)c1O
InChIInChI=1S/C25H36N4O3/c1-6-32-23-9-7-8-22(25(23)31)16-26-27-24(30)18-29(5)15-14-28(4)17-20-10-12-21(13-11-20)19(2)3/h7-13,16,19,31H,6,14-15,17-18H2,1-5H3,(H,27,30)/b26-16+
InChIKeyRQWVYEXWGNFYTO-WGOQTCKBSA-N
MW440.59 g/mol
LogP3.43
Rot. Bonds12

About N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide

N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide (PubChem CID 137136949) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide
PubChem CID137136949
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide
SMILESCCOc1cccc(/C=N/NC(=O)CN(C)CCN(C)Cc2ccc(C(C)C)cc2)c1O
InChIInChI=1S/C25H36N4O3/c1-6-32-23-9-7-8-22(25(23)31)16-26-27-24(30)18-29(5)15-14-28(4)17-20-10-12-21(13-11-20)19(2)3/h7-13,16,19,31H,6,14-15,17-18H2,1-5H3,(H,27,30)/b26-16+
InChIKeyRQWVYEXWGNFYTO-WGOQTCKBSA-N
XLogP3.43
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]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 N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide?
The IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide (CID 137136949) is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide?
The canonical SMILES for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide is CCOc1cccc(/C=N/NC(=O)CN(C)CCN(C)Cc2ccc(C(C)C)cc2)c1O.
What is the InChIKey of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide?
The InChIKey is RQWVYEXWGNFYTO-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-6-32-23-9-7-8-22(25(23)31)16-26-27-24(30)18-29(5)15-14-28(4)17-20-10-12-21(13-11-20)19(2)3/h7-13,16,19,31H,6,14-15,17-18H2,1-5H3,(H,27,30)/b26-16+.
What are the key properties of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide?
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide has a molecular weight of 440.59 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 137136949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).