4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide

C16H23Cl2N3O2 — CID 122625626

IUPAC4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide
SMILESCCON=C(CCC(=O)NCCN(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2N3O2/c1-4-23-20-15(12-5-6-13(17)14(18)11-12)7-8-16(22)19-9-10-21(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyURSLWCSLAJSHNG-UHFFFAOYSA-N
MW360.29 g/mol
LogP3.19
Rot. Bonds9

About 4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide

4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide (PubChem CID 122625626) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide
PubChem CID122625626
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide
SMILESCCON=C(CCC(=O)NCCN(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2N3O2/c1-4-23-20-15(12-5-6-13(17)14(18)11-12)7-8-16(22)19-9-10-21(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyURSLWCSLAJSHNG-UHFFFAOYSA-N
XLogP3.19
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide
CID 138593531
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
methyl 3-[acetyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-4-chlorobenzoate
CID 113131601
(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
CID 87388083
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991491
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide
CID 45101407
4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
CID 75083596

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide (CID 122625626) is 4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide is CCON=C(CCC(=O)NCCN(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide?
The InChIKey is URSLWCSLAJSHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O2/c1-4-23-20-15(12-5-6-13(17)14(18)11-12)7-8-16(22)19-9-10-21(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,19,22).
What are the key properties of 4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide?
4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide has a molecular weight of 360.29 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide is sourced from PubChem (CID 122625626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).