(2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide

C20H22ClN3O3 — CID 134921217

IUPAC(2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide
SMILESCCO/C(=C(\C(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C20H22ClN3O3/c1-4-27-20(24(2)3)17(18(25)22-15-8-6-5-7-9-15)19(26)23-16-12-10-14(21)11-13-16/h5-13H,4H2,1-3H3,(H,22,25)(H,23,26)/b20-17+
InChIKeyMCUAKGWHZCHKAT-LVZFUZTISA-N
MW387.87 g/mol
LogP3.73
Rot. Bonds7

About (2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide

(2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide (PubChem CID 134921217) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is (2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide.

Molecular Properties

Compound Name(2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide
PubChem CID134921217
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name(2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide
SMILESCCO/C(=C(\C(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C20H22ClN3O3/c1-4-27-20(24(2)3)17(18(25)22-15-8-6-5-7-9-15)19(26)23-16-12-10-14(21)11-13-16/h5-13H,4H2,1-3H3,(H,22,25)(H,23,26)/b20-17+
InChIKeyMCUAKGWHZCHKAT-LVZFUZTISA-N
XLogP3.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 24836409
ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625
bis((Z)-2-benzoyl-3-ethoxy-3-hydroxy-N-phenylprop-2-enamide);copper
CID 11814456
ethyl 2-benzyl-3-(4-chloroanilino)-3-oxo-2-phenylpropanoate
CID 71516313
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
(E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide
CID 136502130
(Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide
CID 135426606
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
CID 112984125
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide
CID 5109111

Frequently Asked Questions

What is the IUPAC name of (2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide?
The IUPAC name of (2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide (CID 134921217) is (2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide.
What is the SMILES notation for (2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide?
The canonical SMILES for (2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide is CCO/C(=C(\C(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1)N(C)C.
What is the InChIKey of (2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide?
The InChIKey is MCUAKGWHZCHKAT-LVZFUZTISA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-4-27-20(24(2)3)17(18(25)22-15-8-6-5-7-9-15)19(26)23-16-12-10-14(21)11-13-16/h5-13H,4H2,1-3H3,(H,22,25)(H,23,26)/b20-17+.
What are the key properties of (2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide?
(2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide has a molecular weight of 387.87 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide is sourced from PubChem (CID 134921217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).