2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

C20H22N2O3 — CID 126246748

IUPAC2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1cccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H22N2O3/c1-16-3-2-4-18(13-16)21-14-17-5-7-19(8-6-17)25-15-20(23)22-9-11-24-12-10-22/h2-8,13-14H,9-12,15H2,1H3/b21-14+
InChIKeyUNVVYDBMIVGDBQ-KGENOOAVSA-N
MW338.41 g/mol
LogP2.98
Rot. Bonds5

About 2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 126246748) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID126246748
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1cccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H22N2O3/c1-16-3-2-4-18(13-16)21-14-17-5-7-19(8-6-17)25-15-20(23)22-9-11-24-12-10-22/h2-8,13-14H,9-12,15H2,1H3/b21-14+
InChIKeyUNVVYDBMIVGDBQ-KGENOOAVSA-N
XLogP2.98
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
CID 126245308
1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone
CID 126243299
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126253048
2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5173161
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246659
2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126243345
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126015984
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126027835
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (CID 126246748) is 2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is Cc1cccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is UNVVYDBMIVGDBQ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-16-3-2-4-18(13-16)21-14-17-5-7-19(8-6-17)25-15-20(23)22-9-11-24-12-10-22/h2-8,13-14H,9-12,15H2,1H3/b21-14+.
What are the key properties of 2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 338.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 126246748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).