N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide

C20H22ClN3O3 — CID 21212526

IUPACN-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O3/c21-18-7-5-16(6-8-18)15-27-19-4-2-1-3-17(19)13-22-23-20(25)14-24-9-11-26-12-10-24/h1-8,13H,9-12,14-15H2,(H,23,25)/b22-13+
InChIKeyUGZQJCHSPYTZKC-LPYMAVHISA-N
MW387.87 g/mol
LogP2.70
Rot. Bonds7

About N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide

N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 21212526) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID21212526
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O3/c21-18-7-5-16(6-8-18)15-27-19-4-2-1-3-17(19)13-22-23-20(25)14-24-9-11-26-12-10-24/h1-8,13H,9-12,14-15H2,(H,23,25)/b22-13+
InChIKeyUGZQJCHSPYTZKC-LPYMAVHISA-N
XLogP2.70
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 1231188
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
CID 3543860
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 3708342
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533896
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 4009755
2-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426552
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 831292
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide (CID 21212526) is N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is UGZQJCHSPYTZKC-LPYMAVHISA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-18-7-5-16(6-8-18)15-27-19-4-2-1-3-17(19)13-22-23-20(25)14-24-9-11-26-12-10-24/h1-8,13H,9-12,14-15H2,(H,23,25)/b22-13+.
What are the key properties of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 387.87 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 21212526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).