(Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide

C16H20ClN3O4 — CID 135426610

IUPAC(Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide
SMILES[H]/N=C(C(/C(=O)Nc1ccc(Cl)cc1)=C(\O)OCC)\N1CCOCC1
InChIInChI=1S/C16H20ClN3O4/c1-2-24-16(22)13(14(18)20-7-9-23-10-8-20)15(21)19-12-5-3-11(17)4-6-12/h3-6,18,22H,2,7-10H2,1H3,(H,19,21)/b16-13-,18-14-
InChIKeyWUZJJJUTVMOOHN-DIHSMVEZSA-N
MW353.81 g/mol
LogP2.39
Rot. Bonds5

About (Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide

(Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide (PubChem CID 135426610) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is (Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide
PubChem CID135426610
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name(Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide
SMILES[H]/N=C(C(/C(=O)Nc1ccc(Cl)cc1)=C(\O)OCC)\N1CCOCC1
InChIInChI=1S/C16H20ClN3O4/c1-2-24-16(22)13(14(18)20-7-9-23-10-8-20)15(21)19-12-5-3-11(17)4-6-12/h3-6,18,22H,2,7-10H2,1H3,(H,19,21)/b16-13-,18-14-
InChIKeyWUZJJJUTVMOOHN-DIHSMVEZSA-N
XLogP2.39
TPSA94.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(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 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
CID 2250451
(2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide
CID 134921217
N-(4-chlorophenyl)-1,3-oxazolidine-3-carboxamide
CID 110749558
(Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide
CID 142829790
ethyl 2-[(4-chlorophenyl)carbamoyl]diazinane-1-carboxylate
CID 12721837
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711690
ethyl 4-[4-[(4-chlorobenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984401
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711692
ethyl 4-[[2-(2-morpholin-4-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108500117
(Z)-N-(4-chlorophenyl)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide
CID 126025111

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide (CID 135426610) is (Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide is [H]/N=C(C(/C(=O)Nc1ccc(Cl)cc1)=C(\O)OCC)\N1CCOCC1.
What is the InChIKey of (Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide?
The InChIKey is WUZJJJUTVMOOHN-DIHSMVEZSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-2-24-16(22)13(14(18)20-7-9-23-10-8-20)15(21)19-12-5-3-11(17)4-6-12/h3-6,18,22H,2,7-10H2,1H3,(H,19,21)/b16-13-,18-14-.
What are the key properties of (Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide?
(Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide has a molecular weight of 353.81 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide is sourced from PubChem (CID 135426610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).