N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide

C20H23N3O3 — CID 5021212

IUPACN-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1cccc(C=NNC(=O)CC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-4-26-18-7-5-6-16(11-18)13-21-23-20(25)12-19(24)22-17-9-8-14(2)15(3)10-17/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySKWQPMXCXVFWEX-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.18
Rot. Bonds7

About N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide

N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide (PubChem CID 5021212) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide
PubChem CID5021212
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1cccc(C=NNC(=O)CC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-4-26-18-7-5-6-16(11-18)13-21-23-20(25)12-19(24)22-17-9-8-14(2)15(3)10-17/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySKWQPMXCXVFWEX-UHFFFAOYSA-N
XLogP3.18
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dimethylphenyl)-N'-[(Z)-(3-ethoxyphenyl)methylideneamino]oxamide
CID 8932223
N'-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126169306
N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989189
N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide
CID 4299291
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126381101
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8932255
2-bromo-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126022248
3,4-dichloro-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126023505
N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126025102
2,4-dichloro-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126026470
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 8932252

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide (CID 5021212) is N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide is CCOc1cccc(C=NNC(=O)CC(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide?
The InChIKey is SKWQPMXCXVFWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-26-18-7-5-6-16(11-18)13-21-23-20(25)12-19(24)22-17-9-8-14(2)15(3)10-17/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide?
N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide has a molecular weight of 353.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 5021212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).