(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide

C18H20ClN3O2 — CID 78834897

IUPAC(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide
SMILESCc1cc(C)cc(CO/N=C(/N)CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-12-7-13(2)9-14(8-12)11-24-22-17(20)10-18(23)21-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyPHEZHPDZJXRHDW-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.77
Rot. Bonds6

About (3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide

(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide (PubChem CID 78834897) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is (3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide.

Molecular Properties

Compound Name(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide
PubChem CID78834897
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide
SMILESCc1cc(C)cc(CO/N=C(/N)CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-12-7-13(2)9-14(8-12)11-24-22-17(20)10-18(23)21-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyPHEZHPDZJXRHDW-UHFFFAOYSA-N
XLogP3.77
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)methoxyimino]propanamide
CID 78766910
3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide
CID 78766790
3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
CID 78766823
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]iminopropanamide
CID 78766800
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide
CID 78766912
3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide
CID 78766902
3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide
CID 78766839
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide
CID 78766801
(3E)-3-amino-N-(2-chlorophenyl)-3-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]oxyiminopropanamide
CID 78820528
N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
CID 108954873
N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952910
3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 111092416

Frequently Asked Questions

What is the IUPAC name of (3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide?
The IUPAC name of (3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide (CID 78834897) is (3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide.
What is the SMILES notation for (3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide?
The canonical SMILES for (3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide is Cc1cc(C)cc(CO/N=C(/N)CC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of (3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide?
The InChIKey is PHEZHPDZJXRHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12-7-13(2)9-14(8-12)11-24-22-17(20)10-18(23)21-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of (3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide?
(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide is sourced from PubChem (CID 78834897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).