N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide

C19H21N3O4 — CID 3945217

IUPACN'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide
SMILESCCOc1cc(C=NNC(=O)CC(=O)Nc2ccccc2)ccc1OC
InChIInChI=1S/C19H21N3O4/c1-3-26-17-11-14(9-10-16(17)25-2)13-20-22-19(24)12-18(23)21-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXECYZERBZUEVHM-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.57
Rot. Bonds8

About N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide

N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide (PubChem CID 3945217) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide
PubChem CID3945217
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide
SMILESCCOc1cc(C=NNC(=O)CC(=O)Nc2ccccc2)ccc1OC
InChIInChI=1S/C19H21N3O4/c1-3-26-17-11-14(9-10-16(17)25-2)13-20-22-19(24)12-18(23)21-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXECYZERBZUEVHM-UHFFFAOYSA-N
XLogP2.57
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.57
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'}

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Related Compounds

N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3513929
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 135613940
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N-[[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3517800
methyl 2-[4-[[(4-anilino-4-oxobutanoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 3460945
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 5126791
N'-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 4017540
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146021692
N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4557774
N-(4-methoxyphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3486320

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide?
The IUPAC name of N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide (CID 3945217) is N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide.
What is the SMILES notation for N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide?
The canonical SMILES for N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide is CCOc1cc(C=NNC(=O)CC(=O)Nc2ccccc2)ccc1OC.
What is the InChIKey of N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide?
The InChIKey is XECYZERBZUEVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-3-26-17-11-14(9-10-16(17)25-2)13-20-22-19(24)12-18(23)21-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide?
N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide has a molecular weight of 355.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide is sourced from PubChem (CID 3945217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).