(E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide

C16H20ClN3O3 — CID 136502130

IUPAC(E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide
SMILES[H]/N=C(C(/C(=O)Nc1ccc(Cl)cc1)=C(/O)OCC)\N1CCCC1
InChIInChI=1S/C16H20ClN3O3/c1-2-23-16(22)13(14(18)20-9-3-4-10-20)15(21)19-12-7-5-11(17)6-8-12/h5-8,18,22H,2-4,9-10H2,1H3,(H,19,21)/b16-13+,18-14-
InChIKeyBLOQPGARQGROCM-UEUHXYKBSA-N
MW337.81 g/mol
LogP3.16
Rot. Bonds5

About (E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide

(E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide (PubChem CID 136502130) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is (E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide
PubChem CID136502130
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name(E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide
SMILES[H]/N=C(C(/C(=O)Nc1ccc(Cl)cc1)=C(/O)OCC)\N1CCCC1
InChIInChI=1S/C16H20ClN3O3/c1-2-23-16(22)13(14(18)20-9-3-4-10-20)15(21)19-12-7-5-11(17)6-8-12/h5-8,18,22H,2-4,9-10H2,1H3,(H,19,21)/b16-13+,18-14-
InChIKeyBLOQPGARQGROCM-UEUHXYKBSA-N
XLogP3.16
TPSA85.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide 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

(Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide
CID 135426606
(Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide
CID 135426610
(E)-3-ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide
CID 136503868
ethyl 2-[(4-chlorophenyl)carbamoyl]diazinane-1-carboxylate
CID 12721837
ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate
CID 110179174
(2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide
CID 134921217
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 51362513
N-(4-chlorophenyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728034
ethyl 4-[4-[(4-chlorobenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984401
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide (CID 136502130) is (E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide is [H]/N=C(C(/C(=O)Nc1ccc(Cl)cc1)=C(/O)OCC)\N1CCCC1.
What is the InChIKey of (E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide?
The InChIKey is BLOQPGARQGROCM-UEUHXYKBSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-2-23-16(22)13(14(18)20-9-3-4-10-20)15(21)19-12-7-5-11(17)6-8-12/h5-8,18,22H,2-4,9-10H2,1H3,(H,19,21)/b16-13+,18-14-.
What are the key properties of (E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide?
(E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide has a molecular weight of 337.81 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide is sourced from PubChem (CID 136502130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).