N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide

C23H29N3O4 — CID 5217446

IUPACN'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
SMILESCCCOc1ccc(C=NNC(=O)CC(=O)Nc2ccccc2CC)cc1OCC
InChIInChI=1S/C23H29N3O4/c1-4-13-30-20-12-11-17(14-21(20)29-6-3)16-24-26-23(28)15-22(27)25-19-10-8-7-9-18(19)5-2/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyHXJUJXZOCCZAAU-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.92
Rot. Bonds11

About N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide

N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide (PubChem CID 5217446) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
PubChem CID5217446
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
SMILESCCCOc1ccc(C=NNC(=O)CC(=O)Nc2ccccc2CC)cc1OCC
InChIInChI=1S/C23H29N3O4/c1-4-13-30-20-12-11-17(14-21(20)29-6-3)16-24-26-23(28)15-22(27)25-19-10-8-7-9-18(19)5-2/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyHXJUJXZOCCZAAU-UHFFFAOYSA-N
XLogP3.92
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide 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-(2-ethylphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3643210
N'-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 5152754
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 5040782
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 4519852
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 5126791
N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3303970
N-(3,4-dichlorophenyl)-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 171979471
N'-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 3634457
N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3513929
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8901090
N-(2-ethylphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135614342
N-(2-bromophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3897659

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide?
The IUPAC name of N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide (CID 5217446) is N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide.
What is the SMILES notation for N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide?
The canonical SMILES for N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide is CCCOc1ccc(C=NNC(=O)CC(=O)Nc2ccccc2CC)cc1OCC.
What is the InChIKey of N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide?
The InChIKey is HXJUJXZOCCZAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-13-30-20-12-11-17(14-21(20)29-6-3)16-24-26-23(28)15-22(27)25-19-10-8-7-9-18(19)5-2/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide?
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide has a molecular weight of 411.50 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide is sourced from PubChem (CID 5217446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).