(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide

C19H22ClN3O3 — CID 78766912

IUPAC(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide
SMILESCc1cccc(C)c1OCCO/N=C(/N)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O3/c1-13-6-5-7-14(2)19(13)25-10-11-26-23-17(21)12-18(24)22-16-9-4-3-8-15(16)20/h3-9H,10-12H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyRADGXBQVOUOQGA-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.65
Rot. Bonds8

About (3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide

(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide (PubChem CID 78766912) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is (3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide.

Molecular Properties

Compound Name(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide
PubChem CID78766912
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide
SMILESCc1cccc(C)c1OCCO/N=C(/N)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O3/c1-13-6-5-7-14(2)19(13)25-10-11-26-23-17(21)12-18(24)22-16-9-4-3-8-15(16)20/h3-9H,10-12H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyRADGXBQVOUOQGA-UHFFFAOYSA-N
XLogP3.65
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-phenoxyethoxyimino)propanamide
CID 78766902
(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide
CID 78834897
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
(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-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide
CID 78766801
3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
CID 78766823
3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide
CID 78766839
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
N'-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethylsulfonylpropanimidamide
CID 126817607
N-(2-chlorophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 731196
(3E)-3-amino-N-(2-chlorophenyl)-3-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]oxyiminopropanamide
CID 78820528

Frequently Asked Questions

What is the IUPAC name of (3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide?
The IUPAC name of (3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide (CID 78766912) is (3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide.
What is the SMILES notation for (3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide?
The canonical SMILES for (3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide is Cc1cccc(C)c1OCCO/N=C(/N)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of (3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide?
The InChIKey is RADGXBQVOUOQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13-6-5-7-14(2)19(13)25-10-11-26-23-17(21)12-18(24)22-16-9-4-3-8-15(16)20/h3-9H,10-12H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of (3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide?
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide has a molecular weight of 375.86 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide is sourced from PubChem (CID 78766912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).