(Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide

C26H24ClN3O4 — CID 142829790

IUPAC(Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide
SMILES[H]/N=C/C(=C(/Oc1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C26H24ClN3O4/c27-20-5-7-21(8-6-20)29-26(32)25(24(17-28)30-13-15-33-16-14-30)34-23-11-3-19(4-12-23)18-1-9-22(31)10-2-18/h1-12,17,28,31H,13-16H2,(H,29,32)/b25-24-,28-17+
InChIKeyLWDFCTJZHGBSFL-JCJYIAACSA-N
MW477.95 g/mol
LogP4.92
Rot. Bonds7

About (Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide

(Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide (PubChem CID 142829790) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is (Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide
PubChem CID142829790
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC Name(Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide
SMILES[H]/N=C/C(=C(/Oc1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C26H24ClN3O4/c27-20-5-7-21(8-6-20)29-26(32)25(24(17-28)30-13-15-33-16-14-30)34-23-11-3-19(4-12-23)18-1-9-22(31)10-2-18/h1-12,17,28,31H,13-16H2,(H,29,32)/b25-24-,28-17+
InChIKeyLWDFCTJZHGBSFL-JCJYIAACSA-N
XLogP4.92
TPSA94.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-piperazin-1-ylbut-2-enamide
CID 142829812
(Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
CID 142829904
tert-butyl 4-[(Z)-4-(4-chloroanilino)-3-[4-(4-hydroxyphenyl)phenoxy]-1-imino-4-oxobut-2-en-2-yl]piperazine-1-carboxylate
CID 142829833
(Z)-3-(4-acetylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-N-(4-methylphenyl)but-2-enamide
CID 142829841
(Z)-N-(4-chlorophenyl)-3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[4-[4-fluoro-2-(methoxymethoxy)phenyl]phenoxy]-4-iminobut-2-enamide
CID 142829810
(Z)-N-(4-chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide
CID 135426610
N-(4-chlorophenyl)-1,3-oxazolidine-3-carboxamide
CID 110749558
O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate
CID 1354291
N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 30739596
2-(4-chlorophenoxy)-N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637403
4-[(Z)-4-(3-chloroanilino)-3-hex-5-enoxy-1-imino-4-oxobut-2-en-2-yl]piperazine-1-sulfinate
CID 145478251
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide?
The IUPAC name of (Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide (CID 142829790) is (Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for (Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide?
The canonical SMILES for (Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide is [H]/N=C/C(=C(/Oc1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of (Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide?
The InChIKey is LWDFCTJZHGBSFL-JCJYIAACSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c27-20-5-7-21(8-6-20)29-26(32)25(24(17-28)30-13-15-33-16-14-30)34-23-11-3-19(4-12-23)18-1-9-22(31)10-2-18/h1-12,17,28,31H,13-16H2,(H,29,32)/b25-24-,28-17+.
What are the key properties of (Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide?
(Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide has a molecular weight of 477.95 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chlorophenyl)-2-[4-(4-hydroxyphenyl)phenoxy]-4-imino-3-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 142829790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).