N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide

C25H26ClN3O4 — CID 126006365

IUPACN-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc2ccccc12
InChIInChI=1S/C25H26ClN3O4/c1-31-23-14-18(15-27-28-24(30)16-29-9-11-32-12-10-29)13-22(26)25(23)33-17-20-7-4-6-19-5-2-3-8-21(19)20/h2-8,13-15H,9-12,16-17H2,1H3,(H,28,30)/b27-15+
InChIKeySHRWXXXQRDSGOD-JFLMPSFJSA-N
MW467.95 g/mol
LogP3.86
Rot. Bonds8

About N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide

N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 126006365) has the molecular formula C25H26ClN3O4 and a molecular weight of 467.95 g/mol. Its IUPAC name is N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID126006365
Molecular FormulaC25H26ClN3O4
Molecular Weight467.95 g/mol
Exact Mass467.16
IUPAC NameN-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc2ccccc12
InChIInChI=1S/C25H26ClN3O4/c1-31-23-14-18(15-27-28-24(30)16-29-9-11-32-12-10-29)13-22(26)25(23)33-17-20-7-4-6-19-5-2-3-8-21(19)20/h2-8,13-15H,9-12,16-17H2,1H3,(H,28,30)/b27-15+
InChIKeySHRWXXXQRDSGOD-JFLMPSFJSA-N
XLogP3.86
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.95
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124602142
N-[(E)-[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126005659
N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride
CID 171155004
N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126378589
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126002300
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 75124053
N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126318209
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 26368175
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126001303
N-[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126218836
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 3250628

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide (CID 126006365) is N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide is COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc2ccccc12.
What is the InChIKey of N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is SHRWXXXQRDSGOD-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H26ClN3O4/c1-31-23-14-18(15-27-28-24(30)16-29-9-11-32-12-10-29)13-22(26)25(23)33-17-20-7-4-6-19-5-2-3-8-21(19)20/h2-8,13-15H,9-12,16-17H2,1H3,(H,28,30)/b27-15+.
What are the key properties of N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 467.95 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 126006365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).